N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C24H33N3O2S — CID 23604936

IUPACN-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2C)c1
InChIInChI=1S/C24H33N3O2S/c1-19-9-8-10-21(17-19)27-16-15-26(18-20(27)2)24-14-7-6-13-23(24)25-30(28,29)22-11-4-3-5-12-22/h3-5,8-12,17,20,23-25H,6-7,13-16,18H2,1-2H3
InChIKeyYVBYTYWPSWCLGU-UHFFFAOYSA-N
MW427.61 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604936) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604936
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2C)c1
InChIInChI=1S/C24H33N3O2S/c1-19-9-8-10-21(17-19)27-16-15-26(18-20(27)2)24-14-7-6-13-23(24)25-30(28,29)22-11-4-3-5-12-22/h3-5,8-12,17,20,23-25H,6-7,13-16,18H2,1-2H3
InChIKeyYVBYTYWPSWCLGU-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604936) is N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is Cc1cccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2C)c1.
What is the InChIKey of N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is YVBYTYWPSWCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-19-9-8-10-21(17-19)27-16-15-26(18-20(27)2)24-14-7-6-13-23(24)25-30(28,29)22-11-4-3-5-12-22/h3-5,8-12,17,20,23-25H,6-7,13-16,18H2,1-2H3.
What are the key properties of N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 427.61 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).