2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide

C15H14ClNO3S — CID 892315

IUPAC2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyTVXDJTBGTZXIKI-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.06
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide

2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 892315) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID892315
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyTVXDJTBGTZXIKI-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide (CID 892315) is 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is TVXDJTBGTZXIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide?
2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 892315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).