N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide

C16H13ClN2O2S — CID 68870191

IUPACN-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1c(NS(=O)(=O)C=Cc2ccccc2)ccc(C#N)c1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-12-15(8-7-14(11-18)16(12)17)19-22(20,21)10-9-13-5-3-2-4-6-13/h2-10,19H,1H3
InChIKeyCAFFNBZYVDQULG-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.93
Rot. Bonds4

About N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide

N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide (PubChem CID 68870191) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide
PubChem CID68870191
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1c(NS(=O)(=O)C=Cc2ccccc2)ccc(C#N)c1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-12-15(8-7-14(11-18)16(12)17)19-22(20,21)10-9-13-5-3-2-4-6-13/h2-10,19H,1H3
InChIKeyCAFFNBZYVDQULG-UHFFFAOYSA-N
XLogP3.93
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide (CID 68870191) is N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide is Cc1c(NS(=O)(=O)C=Cc2ccccc2)ccc(C#N)c1Cl.
What is the InChIKey of N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide?
The InChIKey is CAFFNBZYVDQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-12-15(8-7-14(11-18)16(12)17)19-22(20,21)10-9-13-5-3-2-4-6-13/h2-10,19H,1H3.
What are the key properties of N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide?
N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 68870191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).