N-benzhydryl-3-fluorobenzenesulfonamide

C19H16FNO2S — CID 3697866

IUPACN-benzhydryl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H16FNO2S/c20-17-12-7-13-18(14-17)24(22,23)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H
InChIKeyPPHDVRAZGFXUBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds5

About N-benzhydryl-3-fluorobenzenesulfonamide

N-benzhydryl-3-fluorobenzenesulfonamide (PubChem CID 3697866) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzhydryl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-3-fluorobenzenesulfonamide
PubChem CID3697866
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-benzhydryl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H16FNO2S/c20-17-12-7-13-18(14-17)24(22,23)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H
InChIKeyPPHDVRAZGFXUBE-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
3,4-diamino-N-benzhydrylbenzenesulfonamide
CID 142157498
3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 40738951
3-[3-(benzhydrylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019562
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 63766194
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-fluorobenzenesulfonamide?
The IUPAC name of N-benzhydryl-3-fluorobenzenesulfonamide (CID 3697866) is N-benzhydryl-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-3-fluorobenzenesulfonamide?
The canonical SMILES for N-benzhydryl-3-fluorobenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-benzhydryl-3-fluorobenzenesulfonamide?
The InChIKey is PPHDVRAZGFXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-17-12-7-13-18(14-17)24(22,23)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H.
What are the key properties of N-benzhydryl-3-fluorobenzenesulfonamide?
N-benzhydryl-3-fluorobenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 3697866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).