3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide

C31H37Cl2N3O3S — CID 68905954

IUPAC3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C31H37Cl2N3O3S/c1-39-31-21-25(24-5-3-2-4-6-24)9-14-30(31)36-19-17-35(18-20-36)16-15-23-7-10-26(11-8-23)34-40(37,38)27-12-13-28(32)29(33)22-27/h2-6,9,12-14,21-23,26,34H,7-8,10-11,15-20H2,1H3
InChIKeySQEWZLBXBNSSDS-UHFFFAOYSA-N
MW602.63 g/mol
LogP6.72
Rot. Bonds9

About 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide

3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide (PubChem CID 68905954) has the molecular formula C31H37Cl2N3O3S and a molecular weight of 602.63 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide
PubChem CID68905954
Molecular FormulaC31H37Cl2N3O3S
Molecular Weight602.63 g/mol
Exact Mass601.19
IUPAC Name3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C31H37Cl2N3O3S/c1-39-31-21-25(24-5-3-2-4-6-24)9-14-30(31)36-19-17-35(18-20-36)16-15-23-7-10-26(11-8-23)34-40(37,38)27-12-13-28(32)29(33)22-27/h2-6,9,12-14,21-23,26,34H,7-8,10-11,15-20H2,1H3
InChIKeySQEWZLBXBNSSDS-UHFFFAOYSA-N
XLogP6.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
CID 68902411
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-nitrobenzenesulfonamide
CID 68907312
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 11365069
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082
N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide
CID 175603662
N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18549144

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide (CID 68905954) is 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide is COc1cc(-c2ccccc2)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1.
What is the InChIKey of 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide?
The InChIKey is SQEWZLBXBNSSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37Cl2N3O3S/c1-39-31-21-25(24-5-3-2-4-6-24)9-14-30(31)36-19-17-35(18-20-36)16-15-23-7-10-26(11-8-23)34-40(37,38)27-12-13-28(32)29(33)22-27/h2-6,9,12-14,21-23,26,34H,7-8,10-11,15-20H2,1H3.
What are the key properties of 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide?
3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide has a molecular weight of 602.63 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 68905954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).