5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide

C27H35ClN2O4S — CID 11857710

IUPAC5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1
InChIInChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3
InChIKeyCQABPCACTMBCQC-UHFFFAOYSA-N
MW519.11 g/mol
LogP5.36
Rot. Bonds8

About 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide

5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide (PubChem CID 11857710) has the molecular formula C27H35ClN2O4S and a molecular weight of 519.11 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide
PubChem CID11857710
Molecular FormulaC27H35ClN2O4S
Molecular Weight519.11 g/mol
Exact Mass518.20
IUPAC Name5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1
InChIInChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3
InChIKeyCQABPCACTMBCQC-UHFFFAOYSA-N
XLogP5.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.11
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857793
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
5-chloro-N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-fluorobenzenesulfonamide
CID 11857711
5-chloro-2-methoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857792
3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71454998
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-3-chlorobenzenesulfonamide
CID 127026071
3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127026444
3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 132938109
3-chloro-N-[1-[3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145975106
3-chloro-N-[1-[1-(2-phenylphenoxy)propan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 145976890
3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127039755
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127040760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide (CID 11857710) is 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1.
What is the InChIKey of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide?
The InChIKey is CQABPCACTMBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3.
What are the key properties of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide has a molecular weight of 519.11 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 11857710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).