3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide

C16H17ClN2O3S — CID 113143812

IUPAC3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-5-6-13(17)12-15)11-10-16(20)18-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyZTGRBZXUWYFUCR-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.13
Rot. Bonds6

About 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide

3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide (PubChem CID 113143812) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
PubChem CID113143812
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-5-6-13(17)12-15)11-10-16(20)18-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyZTGRBZXUWYFUCR-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113143842

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide (CID 113143812) is 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide.
What is the SMILES notation for 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The canonical SMILES for 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The InChIKey is ZTGRBZXUWYFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-5-6-13(17)12-15)11-10-16(20)18-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide has a molecular weight of 352.84 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide is sourced from PubChem (CID 113143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).