1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

C19H21ClN2O4S — CID 37484665

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-14(5-4-12-21-17)13-22-18(23)19(10-2-3-11-19)27(24,25)16-8-6-15(20)7-9-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,23)
InChIKeyMPWNADXNOPUDOS-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 37484665) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID37484665
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-14(5-4-12-21-17)13-22-18(23)19(10-2-3-11-19)27(24,25)16-8-6-15(20)7-9-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,23)
InChIKeyMPWNADXNOPUDOS-UHFFFAOYSA-N
XLogP3.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484957
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
CID 46399799
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55898827
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 38536765
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 39248472

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 37484665) is 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is COc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MPWNADXNOPUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-17-14(5-4-12-21-17)13-22-18(23)19(10-2-3-11-19)27(24,25)16-8-6-15(20)7-9-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 37484665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).