1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride

C18H22ClN3O3S — CID 119282587

IUPAC1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCC1
InChIInChI=1S/C18H21N3O3S.ClH/c19-18(11-4-5-12-18)17(22)20-14-7-6-8-15(13-14)21-25(23,24)16-9-2-1-3-10-16;/h1-3,6-10,13,21H,4-5,11-12,19H2,(H,20,22);1H
InChIKeyFOJYQCCCZYGXRC-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.12
Rot. Bonds5

About 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119282587) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119282587
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCC1
InChIInChI=1S/C18H21N3O3S.ClH/c19-18(11-4-5-12-18)17(22)20-14-7-6-8-15(13-14)21-25(23,24)16-9-2-1-3-10-16;/h1-3,6-10,13,21H,4-5,11-12,19H2,(H,20,22);1H
InChIKeyFOJYQCCCZYGXRC-UHFFFAOYSA-N
XLogP3.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119283953
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1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119341551
1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308699
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119282587) is 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCC1.
What is the InChIKey of 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FOJYQCCCZYGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c19-18(11-4-5-12-18)17(22)20-14-7-6-8-15(13-14)21-25(23,24)16-9-2-1-3-10-16;/h1-3,6-10,13,21H,4-5,11-12,19H2,(H,20,22);1H.
What are the key properties of 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119282587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).