3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide

C17H15ClN2O4S — CID 110428380

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-24-16-7-6-13(10-14(16)18)25(22,23)9-8-17(21)20-15-5-3-2-4-12(15)11-19/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyIVQLDAQVXFVNMR-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.02
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide (PubChem CID 110428380) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
PubChem CID110428380
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-24-16-7-6-13(10-14(16)18)25(22,23)9-8-17(21)20-15-5-3-2-4-12(15)11-19/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyIVQLDAQVXFVNMR-UHFFFAOYSA-N
XLogP3.02
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108956910
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 9438977
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626467

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide (CID 110428380) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide?
The InChIKey is IVQLDAQVXFVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-24-16-7-6-13(10-14(16)18)25(22,23)9-8-17(21)20-15-5-3-2-4-12(15)11-19/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide has a molecular weight of 378.84 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 110428380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).