N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide

C13H17ClN2O3S — CID 107180012

IUPACN-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-8-3-2-4-10(8)13(17)16-12-6-5-9(7-11(12)14)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPGFQDANXGWTPLY-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.36
Rot. Bonds3

About N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide

N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107180012) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107180012
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-8-3-2-4-10(8)13(17)16-12-6-5-9(7-11(12)14)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPGFQDANXGWTPLY-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107182876
N-(2-chloro-4-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475777
3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107180023
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 107178798
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176182
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide (CID 107180012) is N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is PGFQDANXGWTPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-8-3-2-4-10(8)13(17)16-12-6-5-9(7-11(12)14)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide?
N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).