5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide

C19H16ClNO4S2 — CID 1089379

IUPAC5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H16ClNO4S2/c1-14-7-10-18(26(22,23)17-11-8-15(20)9-12-17)13-19(14)27(24,25)21-16-5-3-2-4-6-16/h2-13,21H,1H3
InChIKeyMIEQKPPAVPQWHC-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.28
Rot. Bonds5

About 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide

5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 1089379) has the molecular formula C19H16ClNO4S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide
PubChem CID1089379
Molecular FormulaC19H16ClNO4S2
Molecular Weight421.93 g/mol
Exact Mass421.02
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H16ClNO4S2/c1-14-7-10-18(26(22,23)17-11-8-15(20)9-12-17)13-19(14)27(24,25)21-16-5-3-2-4-6-16/h2-13,21H,1H3
InChIKeyMIEQKPPAVPQWHC-UHFFFAOYSA-N
XLogP4.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide (CID 1089379) is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is MIEQKPPAVPQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S2/c1-14-7-10-18(26(22,23)17-11-8-15(20)9-12-17)13-19(14)27(24,25)21-16-5-3-2-4-6-16/h2-13,21H,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide?
5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 421.93 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1089379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).