N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide

C28H38N2O5S — CID 11519153

IUPACN-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC
InChIInChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3
InChIKeyJFRXSPVSGNWHOD-UHFFFAOYSA-N
MW514.69 g/mol
LogP4.71
Rot. Bonds9

About N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 11519153) has the molecular formula C28H38N2O5S and a molecular weight of 514.69 g/mol. Its IUPAC name is N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID11519153
Molecular FormulaC28H38N2O5S
Molecular Weight514.69 g/mol
Exact Mass514.25
IUPAC NameN-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC
InChIInChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3
InChIKeyJFRXSPVSGNWHOD-UHFFFAOYSA-N
XLogP4.71
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.69
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857638
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
3,4-dimethoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857709
N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 11857791
3-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857794
N-((1r,4r)-4-(4-(2-(2-fluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857861
N-((1r,4r)-4-(4-(2-(2,2-difluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857862
N-((1r,4r)-4-(4-(4-fluoro-2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857863
N-((1r,4r)-4-(4-(5-fluoro-2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857864
N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzo[d][1,3]dioxole-5-sulfonamide
CID 44426404
4-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 44426405
N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
CID 164618773

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide (CID 11519153) is N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC.
What is the InChIKey of N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is JFRXSPVSGNWHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3.
What are the key properties of N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 514.69 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 11519153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).