N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C18H18N2O4S3 — CID 4881737

IUPACN-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cccs3)c2)c1
InChIInChI=1S/C18H18N2O4S3/c1-13-5-3-6-15(11-13)19-26(21,22)16-9-8-14(2)17(12-16)20-27(23,24)18-7-4-10-25-18/h3-12,19-20H,1-2H3
InChIKeyULHUCMCHDWCJFE-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.97
Rot. Bonds6

About N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 4881737) has the molecular formula C18H18N2O4S3 and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID4881737
Molecular FormulaC18H18N2O4S3
Molecular Weight422.55 g/mol
Exact Mass422.04
IUPAC NameN-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cccs3)c2)c1
InChIInChI=1S/C18H18N2O4S3/c1-13-5-3-6-15(11-13)19-26(21,22)16-9-8-14(2)17(12-16)20-27(23,24)18-7-4-10-25-18/h3-12,19-20H,1-2H3
InChIKeyULHUCMCHDWCJFE-UHFFFAOYSA-N
XLogP3.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(5-Cyanothiophen-2-yl)-2-methylphenyl)-4-methylbenzenesulfonamide
CID 46847888
N-[[5-[3-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700756
N-(1-naphthyl)-2-thiophenesulfonamide
CID 736201
N-{4-[(2-Methylphenyl)sulfamoyl]phenyl}thiophene-2-sulfonamide
CID 3152114
N-(2,4-dimethylphenyl)-2-thiophenesulfonamide
CID 765829
N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 765841
N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 1092818
N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
CID 5219048
N-(3-methylphenyl)thiophene-2-sulfonamide
CID 738616
N-(4-butylphenyl)thiophene-2-sulfonamide
CID 2133742
N-[[5-[2-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665022
Thiophene-2-sulfonic acid (4-p-tolylsulfamoyl-phenyl)-amide
CID 1075762

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 4881737) is N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ULHUCMCHDWCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S3/c1-13-5-3-6-15(11-13)19-26(21,22)16-9-8-14(2)17(12-16)20-27(23,24)18-7-4-10-25-18/h3-12,19-20H,1-2H3.
What are the key properties of N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 422.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4881737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).