3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide

C16H22ClNO5S — CID 110626467

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO5S/c1-23-14-5-4-12(10-13(14)17)24(21,22)9-6-15(19)18-11-16(20)7-2-3-8-16/h4-5,10,20H,2-3,6-9,11H2,1H3,(H,18,19)
InChIKeyVJFLSZJEEZOYGT-UHFFFAOYSA-N
MW375.87 g/mol
LogP1.93
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 110626467) has the molecular formula C16H22ClNO5S and a molecular weight of 375.87 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID110626467
Molecular FormulaC16H22ClNO5S
Molecular Weight375.87 g/mol
Exact Mass375.09
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO5S/c1-23-14-5-4-12(10-13(14)17)24(21,22)9-6-15(19)18-11-16(20)7-2-3-8-16/h4-5,10,20H,2-3,6-9,11H2,1H3,(H,18,19)
InChIKeyVJFLSZJEEZOYGT-UHFFFAOYSA-N
XLogP1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741
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-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110424143
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
1-[3-(3-chloro-4-methoxyphenyl)sulfonylpropanoyl]piperidine-4-carbonitrile
CID 110409851
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 110626467) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCC2(O)CCCC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is VJFLSZJEEZOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO5S/c1-23-14-5-4-12(10-13(14)17)24(21,22)9-6-15(19)18-11-16(20)7-2-3-8-16/h4-5,10,20H,2-3,6-9,11H2,1H3,(H,18,19).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 375.87 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 110626467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).