2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

C17H19ClN2O3S — CID 53281520

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-4-5-10-16(12)19-17(21)13(2)20(24(3,22)23)15-9-6-8-14(18)11-15/h4-11,13H,1-3H3,(H,19,21)
InChIKeyXLEVDBAADPAIDQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds5

About 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 53281520) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
PubChem CID53281520
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-4-5-10-16(12)19-17(21)13(2)20(24(3,22)23)15-9-6-8-14(18)11-15/h4-11,13H,1-3H3,(H,19,21)
InChIKeyXLEVDBAADPAIDQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 132671168
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (CID 53281520) is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is XLEVDBAADPAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-7-4-5-10-16(12)19-17(21)13(2)20(24(3,22)23)15-9-6-8-14(18)11-15/h4-11,13H,1-3H3,(H,19,21).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 53281520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).