N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide

C15H14ClNO3S — CID 872494

IUPACN-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-5-3-4-6-15(11)17(12(2)18)21(19,20)14-9-7-13(16)8-10-14/h3-10H,1-2H3
InChIKeyUAOFSNUMLMDULD-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.39
Rot. Bonds3

About N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide

N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide (PubChem CID 872494) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide
PubChem CID872494
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-5-3-4-6-15(11)17(12(2)18)21(19,20)14-9-7-13(16)8-10-14/h3-10H,1-2H3
InChIKeyUAOFSNUMLMDULD-UHFFFAOYSA-N
XLogP3.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide (CID 872494) is N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide is CC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide?
The InChIKey is UAOFSNUMLMDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-5-3-4-6-15(11)17(12(2)18)21(19,20)14-9-7-13(16)8-10-14/h3-10H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide?
N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 872494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).