3-fluoro-N,N-diphenylbenzenesulfonamide

C18H14FNO2S — CID 23881981

IUPAC3-fluoro-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14FNO2S/c19-15-8-7-13-18(14-15)23(21,22)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyAXMCZTCBMPUBKK-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.35
Rot. Bonds4

About 3-fluoro-N,N-diphenylbenzenesulfonamide

3-fluoro-N,N-diphenylbenzenesulfonamide (PubChem CID 23881981) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-fluoro-N,N-diphenylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N,N-diphenylbenzenesulfonamide
PubChem CID23881981
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name3-fluoro-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14FNO2S/c19-15-8-7-13-18(14-15)23(21,22)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyAXMCZTCBMPUBKK-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 91758496
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
2,6-dichloro-N,N-diphenylbenzenesulfonamide
CID 3332865
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-diphenylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N,N-diphenylbenzenesulfonamide (CID 23881981) is 3-fluoro-N,N-diphenylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N,N-diphenylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N,N-diphenylbenzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-fluoro-N,N-diphenylbenzenesulfonamide?
The InChIKey is AXMCZTCBMPUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-15-8-7-13-18(14-15)23(21,22)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H.
What are the key properties of 3-fluoro-N,N-diphenylbenzenesulfonamide?
3-fluoro-N,N-diphenylbenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-diphenylbenzenesulfonamide is sourced from PubChem (CID 23881981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).