(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide

C15H15ClN2O4S2 — CID 31073687

IUPAC(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O4S2/c1-23(19,20)17-14-6-8-15(9-7-14)18-24(21,22)11-10-12-2-4-13(16)5-3-12/h2-11,17-18H,1H3/b11-10+
InChIKeyVQQGEQGMDUVECN-ZHACJKMWSA-N
MW386.88 g/mol
LogP3.12
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide (PubChem CID 31073687) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
PubChem CID31073687
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC Name(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O4S2/c1-23(19,20)17-14-6-8-15(9-7-14)18-24(21,22)11-10-12-2-4-13(16)5-3-12/h2-11,17-18H,1H3/b11-10+
InChIKeyVQQGEQGMDUVECN-ZHACJKMWSA-N
XLogP3.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide (CID 31073687) is (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
The InChIKey is VQQGEQGMDUVECN-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c1-23(19,20)17-14-6-8-15(9-7-14)18-24(21,22)11-10-12-2-4-13(16)5-3-12/h2-11,17-18H,1H3/b11-10+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide has a molecular weight of 386.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide is sourced from PubChem (CID 31073687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).