1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride

C16H25Cl2N3O2S — CID 163331891

IUPAC1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1Cl)NN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H24ClN3O2S.ClH/c17-16-8-4-1-5-14(16)13-23(21,22)18-20-11-9-19(10-12-20)15-6-2-3-7-15;/h1,4-5,8,15,18H,2-3,6-7,9-13H2;1H
InChIKeyRELQDCFMAQDDRM-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride

1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride (PubChem CID 163331891) has the molecular formula C16H25Cl2N3O2S and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride
PubChem CID163331891
Molecular FormulaC16H25Cl2N3O2S
Molecular Weight394.37 g/mol
Exact Mass393.10
IUPAC Name1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1Cl)NN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H24ClN3O2S.ClH/c17-16-8-4-1-5-14(16)13-23(21,22)18-20-11-9-19(10-12-20)15-6-2-3-7-15;/h1,4-5,8,15,18H,2-3,6-7,9-13H2;1H
InChIKeyRELQDCFMAQDDRM-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
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4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
CID 42168054
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 124777590
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 119986671
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride (CID 163331891) is 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1Cl)NN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride?
The InChIKey is RELQDCFMAQDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S.ClH/c17-16-8-4-1-5-14(16)13-23(21,22)18-20-11-9-19(10-12-20)15-6-2-3-7-15;/h1,4-5,8,15,18H,2-3,6-7,9-13H2;1H.
What are the key properties of 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride?
1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride has a molecular weight of 394.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 163331891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).