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

C17H15ClN2O4S — CID 110428569

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-24-16-7-6-14(10-15(16)18)25(22,23)9-8-17(21)20-13-4-2-12(11-19)3-5-13/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyBSJQQMMDINUCKM-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.02
Rot. Bonds6

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

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide (PubChem CID 110428569) 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-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
PubChem CID110428569
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-24-16-7-6-14(10-15(16)18)25(22,23)9-8-17(21)20-13-4-2-12(11-19)3-5-13/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyBSJQQMMDINUCKM-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

N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626467
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide (CID 110428569) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The InChIKey is BSJQQMMDINUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-24-16-7-6-14(10-15(16)18)25(22,23)9-8-17(21)20-13-4-2-12(11-19)3-5-13/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-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-(4-cyanophenyl)propanamide is sourced from PubChem (CID 110428569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).