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

C23H30ClN3O3S — CID 23604968

IUPAC4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H30ClN3O3S/c1-30-20-10-8-19(9-11-20)26-14-16-27(17-15-26)23-5-3-2-4-22(23)25-31(28,29)21-12-6-18(24)7-13-21/h6-13,22-23,25H,2-5,14-17H2,1H3
InChIKeyFXAIMPPUQMOFQV-UHFFFAOYSA-N
MW464.03 g/mol
LogP3.76
Rot. Bonds6

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

4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604968) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604968
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H30ClN3O3S/c1-30-20-10-8-19(9-11-20)26-14-16-27(17-15-26)23-5-3-2-4-22(23)25-31(28,29)21-12-6-18(24)7-13-21/h6-13,22-23,25H,2-5,14-17H2,1H3
InChIKeyFXAIMPPUQMOFQV-UHFFFAOYSA-N
XLogP3.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 53.76
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 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604968) is 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is COc1ccc(N2CCN(C3CCCCC3NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is FXAIMPPUQMOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-30-20-10-8-19(9-11-20)26-14-16-27(17-15-26)23-5-3-2-4-22(23)25-31(28,29)21-12-6-18(24)7-13-21/h6-13,22-23,25H,2-5,14-17H2,1H3.
What are the key properties of 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 464.03 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).