2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide

C17H18ClNO3S — CID 1471352

IUPAC2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyASBGMTLKHWYWKP-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide

2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide (PubChem CID 1471352) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
PubChem CID1471352
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyASBGMTLKHWYWKP-UHFFFAOYSA-N
XLogP2.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide (CID 1471352) is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide is Cc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The InChIKey is ASBGMTLKHWYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide has a molecular weight of 351.86 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 1471352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).