4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide

C16H14ClNO3S — CID 69433232

IUPAC4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H14ClNO3S/c1-12-11-14(17)7-8-15(12)16(19)18-22(20,21)10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyCABWLWHDXQXQMY-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.38
Rot. Bonds4

About 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide

4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide (PubChem CID 69433232) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
PubChem CID69433232
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H14ClNO3S/c1-12-11-14(17)7-8-15(12)16(19)18-22(20,21)10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyCABWLWHDXQXQMY-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide?
The IUPAC name of 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide (CID 69433232) is 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide is Cc1cc(Cl)ccc1C(=O)NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide?
The InChIKey is CABWLWHDXQXQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-12-11-14(17)7-8-15(12)16(19)18-22(20,21)10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19).
What are the key properties of 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide?
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide has a molecular weight of 335.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide is sourced from PubChem (CID 69433232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).