N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide

C18H15FN2O4S2 — CID 70139608

IUPACN-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FN2O4S2/c19-14-11-12-17(20-26(22,23)15-7-3-1-4-8-15)18(13-14)21-27(24,25)16-9-5-2-6-10-16/h1-13,20-21H
InChIKeyTUDICUGZNFAPCT-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide

N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide (PubChem CID 70139608) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
PubChem CID70139608
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC NameN-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FN2O4S2/c19-14-11-12-17(20-26(22,23)15-7-3-1-4-8-15)18(13-14)21-27(24,25)16-9-5-2-6-10-16/h1-13,20-21H
InChIKeyTUDICUGZNFAPCT-UHFFFAOYSA-N
XLogP3.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzenesulfonamido)-4-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-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride
CID 134878806
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide (CID 70139608) is N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide?
The InChIKey is TUDICUGZNFAPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c19-14-11-12-17(20-26(22,23)15-7-3-1-4-8-15)18(13-14)21-27(24,25)16-9-5-2-6-10-16/h1-13,20-21H.
What are the key properties of N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide?
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 70139608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).