N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C23H30ClN3O2S — CID 23604934

IUPACN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O2S/c1-18-11-12-19(24)17-23(18)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25-30(28,29)20-7-3-2-4-8-20/h2-4,7-8,11-12,17,21-22,25H,5-6,9-10,13-16H2,1H3
InChIKeyQQHOVWIRORFMSP-UHFFFAOYSA-N
MW448.03 g/mol
LogP4.06
Rot. Bonds5

About N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604934) has the molecular formula C23H30ClN3O2S and a molecular weight of 448.03 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604934
Molecular FormulaC23H30ClN3O2S
Molecular Weight448.03 g/mol
Exact Mass447.17
IUPAC NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O2S/c1-18-11-12-19(24)17-23(18)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25-30(28,29)20-7-3-2-4-8-20/h2-4,7-8,11-12,17,21-22,25H,5-6,9-10,13-16H2,1H3
InChIKeyQQHOVWIRORFMSP-UHFFFAOYSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.03
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604934) is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is Cc1ccc(Cl)cc1N1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is QQHOVWIRORFMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2S/c1-18-11-12-19(24)17-23(18)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25-30(28,29)20-7-3-2-4-8-20/h2-4,7-8,11-12,17,21-22,25H,5-6,9-10,13-16H2,1H3.
What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 448.03 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).