N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C17H16N2O4S3 — CID 1075762

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C17H16N2O4S3/c1-13-4-6-14(7-5-13)18-25(20,21)16-10-8-15(9-11-16)19-26(22,23)17-3-2-12-24-17/h2-12,18-19H,1H3
InChIKeyFXLQVBPHQPIBOV-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 1075762) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID1075762
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C17H16N2O4S3/c1-13-4-6-14(7-5-13)18-25(20,21)16-10-8-15(9-11-16)19-26(22,23)17-3-2-12-24-17/h2-12,18-19H,1H3
InChIKeyFXLQVBPHQPIBOV-UHFFFAOYSA-N
XLogP3.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide 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-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 42998818
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 22202875
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 1075762) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is FXLQVBPHQPIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c1-13-4-6-14(7-5-13)18-25(20,21)16-10-8-15(9-11-16)19-26(22,23)17-3-2-12-24-17/h2-12,18-19H,1H3.
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1075762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).