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

C26H36ClN3O3S — CID 68902411

IUPACN-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C26H36ClN3O3S/c1-20-3-10-24(11-4-20)34(31,32)28-23-8-5-21(6-9-23)13-14-29-15-17-30(18-16-29)25-12-7-22(27)19-26(25)33-2/h3-4,7,10-12,19,21,23,28H,5-6,8-9,13-18H2,1-2H3
InChIKeyZXIIZHMZCMOYHP-UHFFFAOYSA-N
MW506.11 g/mol
LogP4.71
Rot. Bonds8

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

N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 68902411) has the molecular formula C26H36ClN3O3S and a molecular weight of 506.11 g/mol. Its IUPAC name is N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID68902411
Molecular FormulaC26H36ClN3O3S
Molecular Weight506.11 g/mol
Exact Mass505.22
IUPAC NameN-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C26H36ClN3O3S/c1-20-3-10-24(11-4-20)34(31,32)28-23-8-5-21(6-9-23)13-14-29-15-17-30(18-16-29)25-12-7-22(27)19-26(25)33-2/h3-4,7,10-12,19,21,23,28H,5-6,8-9,13-18H2,1-2H3
InChIKeyZXIIZHMZCMOYHP-UHFFFAOYSA-N
XLogP4.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide
CID 68905954
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-nitrobenzenesulfonamide
CID 68907312
N-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823518
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18549144
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 46380356
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide (CID 68902411) is N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide is COc1cc(Cl)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is ZXIIZHMZCMOYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN3O3S/c1-20-3-10-24(11-4-20)34(31,32)28-23-8-5-21(6-9-23)13-14-29-15-17-30(18-16-29)25-12-7-22(27)19-26(25)33-2/h3-4,7,10-12,19,21,23,28H,5-6,8-9,13-18H2,1-2H3.
What are the key properties of N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide?
N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 506.11 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 68902411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).