1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride

C23H31ClN2O2S — CID 17434921

IUPAC1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C23H30N2O2S.ClH/c1-24-16-17-25(23(18-24)21-10-6-3-7-11-21)28(26,27)22-14-12-20(13-15-22)19-8-4-2-5-9-19;/h3,6-7,10-15,19,23H,2,4-5,8-9,16-18H2,1H3;1H
InChIKeyYBBLWHMPALSAMQ-UHFFFAOYSA-N
MW435.03 g/mol
LogP4.83
Rot. Bonds4

About 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride

1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride (PubChem CID 17434921) has the molecular formula C23H31ClN2O2S and a molecular weight of 435.03 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
PubChem CID17434921
Molecular FormulaC23H31ClN2O2S
Molecular Weight435.03 g/mol
Exact Mass434.18
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C23H30N2O2S.ClH/c1-24-16-17-25(23(18-24)21-10-6-3-7-11-21)28(26,27)22-14-12-20(13-15-22)19-8-4-2-5-9-19;/h3,6-7,10-15,19,23H,2,4-5,8-9,16-18H2,1H3;1H
InChIKeyYBBLWHMPALSAMQ-UHFFFAOYSA-N
XLogP4.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.03
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
CID 49238178
1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 46820976
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine
CID 8818673
1-(4-methyl-2-phenylpiperazin-1-yl)sulfonylazepane
CID 43042480
1-(3,4-diethoxyphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 55386395
1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 154800979
[1-(4-cyclohexylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582148
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
CID 31765455
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride (CID 17434921) is 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride is CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C(c2ccccc2)C1.Cl.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride?
The InChIKey is YBBLWHMPALSAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S.ClH/c1-24-16-17-25(23(18-24)21-10-6-3-7-11-21)28(26,27)22-14-12-20(13-15-22)19-8-4-2-5-9-19;/h3,6-7,10-15,19,23H,2,4-5,8-9,16-18H2,1H3;1H.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride?
1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride has a molecular weight of 435.03 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride is sourced from PubChem (CID 17434921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).