3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

C13H17ClN2O3S — CID 66008930

IUPAC3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyDBGFPWJNVQACFR-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 66008930) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID66008930
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyDBGFPWJNVQACFR-UHFFFAOYSA-N
XLogP1.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
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3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (CID 66008930) is 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is DBGFPWJNVQACFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66008930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).