1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine

C17H25ClN2O2S — CID 113073090

IUPAC1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O2S/c1-14-13-16(7-8-17(14)18)23(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyMRROVJAOBZUKFR-UHFFFAOYSA-N
MW356.92 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine

1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine (PubChem CID 113073090) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
PubChem CID113073090
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O2S/c1-14-13-16(7-8-17(14)18)23(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyMRROVJAOBZUKFR-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 66203901

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine (CID 113073090) is 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine is Cc1cc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine?
The InChIKey is MRROVJAOBZUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2S/c1-14-13-16(7-8-17(14)18)23(21,22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine?
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine has a molecular weight of 356.92 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine is sourced from PubChem (CID 113073090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).