N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C23H31N3O3S — CID 23604945

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-29-20-13-11-19(12-14-20)25-15-17-26(18-16-25)23-10-6-5-9-22(23)24-30(27,28)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24H,5-6,9-10,15-18H2,1H3
InChIKeyQXAQVZLOUPQGPV-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604945) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604945
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-29-20-13-11-19(12-14-20)25-15-17-26(18-16-25)23-10-6-5-9-22(23)24-30(27,28)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24H,5-6,9-10,15-18H2,1H3
InChIKeyQXAQVZLOUPQGPV-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604945) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is COc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is QXAQVZLOUPQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-29-20-13-11-19(12-14-20)25-15-17-26(18-16-25)23-10-6-5-9-22(23)24-30(27,28)21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24H,5-6,9-10,15-18H2,1H3.
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).