1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine

C24H32N2O2S — CID 15392110

IUPAC1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine
SMILESCC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3
InChIKeyNHPBDFAJJFWJJX-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.53
Rot. Bonds5

About 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine

1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine (PubChem CID 15392110) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine
PubChem CID15392110
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine
SMILESCC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3
InChIKeyNHPBDFAJJFWJJX-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine (CID 15392110) is 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine is CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine?
The InChIKey is NHPBDFAJJFWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3.
What are the key properties of 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine?
1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine has a molecular weight of 412.60 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine is sourced from PubChem (CID 15392110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).