N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide

C16H16ClNO3S — CID 4786870

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-16(19)18-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyTUQQQQRTFOTRSK-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.74
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide

N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 4786870) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID4786870
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-16(19)18-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyTUQQQQRTFOTRSK-UHFFFAOYSA-N
XLogP2.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide (CID 4786870) is N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is TUQQQQRTFOTRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-16(19)18-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 337.83 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 4786870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).