3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide

C17H18ClNO5S — CID 46797612

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-15-8-5-13(11-16(15)24-2)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyISVICKQFXJPQIV-UHFFFAOYSA-N
MW383.85 g/mol
LogP3.16
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 46797612) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID46797612
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-15-8-5-13(11-16(15)24-2)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyISVICKQFXJPQIV-UHFFFAOYSA-N
XLogP3.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide (CID 46797612) is 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ISVICKQFXJPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-15-8-5-13(11-16(15)24-2)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 383.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 46797612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).