This record is deprecated and may be removed soon.

2D

3D

Save

Zoom

3-Fluorobenzenesulfonamide

ChemSpider ID: 11261570
Molecular Formula: C₆H₆FNO₂S
Monoisotopic mass: 175.01033 Da
Systematic name

3-Fluorobenzenesulfonamide
SMILES and InChIs

SMILES:

O=S(N)(=O)c1cc(F)ccc1 Copied

Std. InChI:

InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) Copied

Std. InChIKey:

CRINBBOGNYCAOV-UHFFFAOYSA-N Copied

ChemSpider Searches

Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.865	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.86	ACD/LogD (pH 7.4):	0.86
ACD/BCF (pH 5.5):	2.67	ACD/BCF (pH 7.4):	2.66
ACD/KOC (pH 5.5):	70.35	ACD/KOC (pH 7.4):	70.12
#H bond acceptors:	3	#H bond donors:	2
#Freely Rotating Bonds:	1	Polar Surface Area:	68.54 Å²
Index of Refraction:	1.554	Molar Refractivity:	39.304 cm³
Molar Volume:	122.591 cm³	Polarizability:	15.581 10^-24cm³
Surface Tension:	46.6310005187988 dyne/cm	Density:	1.429 g/cm³
Flash Point:	147.64 °C	Enthalpy of Vaporization:	56.219 kJ/mol
Boiling Point:	320.512 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form