4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide

C18H17NO4S3 — CID 11165697

IUPAC4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17NO4S3/c1-14-5-9-16(10-6-14)25(20,21)19(18-4-3-13-24-18)26(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyKKLKUSBTVFSDDF-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.95
Rot. Bonds5

About 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide

4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide (PubChem CID 11165697) has the molecular formula C18H17NO4S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
PubChem CID11165697
Molecular FormulaC18H17NO4S3
Molecular Weight407.54 g/mol
Exact Mass407.03
IUPAC Name4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17NO4S3/c1-14-5-9-16(10-6-14)25(20,21)19(18-4-3-13-24-18)26(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyKKLKUSBTVFSDDF-UHFFFAOYSA-N
XLogP3.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47129065
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
N-(2-formylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 139086666
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 13437572
4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
CID 134922970
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide (CID 11165697) is 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide?
The InChIKey is KKLKUSBTVFSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S3/c1-14-5-9-16(10-6-14)25(20,21)19(18-4-3-13-24-18)26(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide?
4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 11165697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).