N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

C16H24Cl2N2O3S — CID 119626480

IUPACN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.Cl
InChIInChI=1S/C16H23ClN2O3S.ClH/c1-15(2,18)11-19-14(20)16(9-3-4-10-16)23(21,22)13-7-5-12(17)6-8-13;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyNWSDSXPGUMOVRL-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119626480) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119626480
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC NameN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.Cl
InChIInChI=1S/C16H23ClN2O3S.ClH/c1-15(2,18)11-19-14(20)16(9-3-4-10-16)23(21,22)13-7-5-12(17)6-8-13;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyNWSDSXPGUMOVRL-UHFFFAOYSA-N
XLogP2.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
CID 138992199
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (CID 119626480) is N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NWSDSXPGUMOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S.ClH/c1-15(2,18)11-19-14(20)16(9-3-4-10-16)23(21,22)13-7-5-12(17)6-8-13;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 395.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119626480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).