3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide

C16H17ClN2O4S — CID 110410741

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-3-2-13(10-14(15)17)24(21,22)9-6-16(20)19-11-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)
InChIKeyVHPSNWNOWIGFPJ-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.22
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110410741) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110410741
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-3-2-13(10-14(15)17)24(21,22)9-6-16(20)19-11-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)
InChIKeyVHPSNWNOWIGFPJ-UHFFFAOYSA-N
XLogP2.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
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3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
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4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
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3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
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2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
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3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide (CID 110410741) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCc2ccncc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is VHPSNWNOWIGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-15-3-2-13(10-14(15)17)24(21,22)9-6-16(20)19-11-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 368.84 g/mol, XLogP of 2.22, 7 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-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110410741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).