N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide

C18H14FNO4S2 — CID 91758496

IUPACN-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccc(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO4S2/c19-15-8-7-9-16(14-15)20(25(21,22)17-10-3-1-4-11-17)26(23,24)18-12-5-2-6-13-18/h1-14H
InChIKeyXGVWHKUITRCADI-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.41
Rot. Bonds5

About N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide

N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 91758496) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID91758496
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC NameN-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccc(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO4S2/c19-15-8-7-9-16(14-15)20(25(21,22)17-10-3-1-4-11-17)26(23,24)18-12-5-2-6-13-18/h1-14H
InChIKeyXGVWHKUITRCADI-UHFFFAOYSA-N
XLogP3.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide (CID 91758496) is N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1cccc(F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is XGVWHKUITRCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c19-15-8-7-9-16(14-15)20(25(21,22)17-10-3-1-4-11-17)26(23,24)18-12-5-2-6-13-18/h1-14H.
What are the key properties of N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide?
N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 91758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).