3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

C17H19ClN2O3S — CID 113143714

IUPAC3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-7-9-14(10-8-13)19-17(21)11-12-20(24(2,22)23)16-6-4-3-5-15(16)18/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyVFLHTUOUYVITJJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds6

About 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113143714) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113143714
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-7-9-14(10-8-13)19-17(21)11-12-20(24(2,22)23)16-6-4-3-5-15(16)18/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyVFLHTUOUYVITJJ-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (CID 113143714) is 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN(c2ccccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is VFLHTUOUYVITJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-7-9-14(10-8-13)19-17(21)11-12-20(24(2,22)23)16-6-4-3-5-15(16)18/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113143714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).