N-(2-chlorophenyl)-3-methylsulfonylpropanamide

C10H12ClNO3S — CID 47160250

IUPACN-(2-chlorophenyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)7-6-10(13)12-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyGKYCBQNLCSRQCF-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.71
Rot. Bonds4

About N-(2-chlorophenyl)-3-methylsulfonylpropanamide

N-(2-chlorophenyl)-3-methylsulfonylpropanamide (PubChem CID 47160250) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methylsulfonylpropanamide
PubChem CID47160250
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC NameN-(2-chlorophenyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)7-6-10(13)12-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyGKYCBQNLCSRQCF-UHFFFAOYSA-N
XLogP1.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
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4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
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CID 62832290
N-(2-chlorophenyl)octanamide
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N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
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methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
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N-(2-chlorophenyl)-2-sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-methylsulfonylpropanamide (CID 47160250) is N-(2-chlorophenyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-methylsulfonylpropanamide?
The InChIKey is GKYCBQNLCSRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-16(14,15)7-6-10(13)12-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-(2-chlorophenyl)-3-methylsulfonylpropanamide?
N-(2-chlorophenyl)-3-methylsulfonylpropanamide has a molecular weight of 261.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 47160250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).