N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide

C28H39FN2O5S — CID 11857864

IUPACN-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC
InChIInChI=1S/C28H39FN2O5S/c1-19(2)36-26-11-5-21(29)17-25(26)20-13-15-31(16-14-20)23-8-6-22(7-9-23)30-37(32,33)24-10-12-27(34-3)28(18-24)35-4/h5,10-12,17-20,22-23,30H,6-9,13-16H2,1-4H3
InChIKeyAEJCTJSNUNXYQL-UHFFFAOYSA-N
MW534.69 g/mol
LogP5.10
Rot. Bonds9

About N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 11857864) has the molecular formula C28H39FN2O5S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID11857864
Molecular FormulaC28H39FN2O5S
Molecular Weight534.69 g/mol
Exact Mass534.26
IUPAC NameN-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC
InChIInChI=1S/C28H39FN2O5S/c1-19(2)36-26-11-5-21(29)17-25(26)20-13-15-31(16-14-20)23-8-6-22(7-9-23)30-37(32,33)24-10-12-27(34-3)28(18-24)35-4/h5,10-12,17-20,22-23,30H,6-9,13-16H2,1-4H3
InChIKeyAEJCTJSNUNXYQL-UHFFFAOYSA-N
XLogP5.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11519153
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 11857638
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
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
5-chloro-N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-fluorobenzenesulfonamide
CID 11857711
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide (CID 11857864) is N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC.
What is the InChIKey of N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is AEJCTJSNUNXYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN2O5S/c1-19(2)36-26-11-5-21(29)17-25(26)20-13-15-31(16-14-20)23-8-6-22(7-9-23)30-37(32,33)24-10-12-27(34-3)28(18-24)35-4/h5,10-12,17-20,22-23,30H,6-9,13-16H2,1-4H3.
What are the key properties of N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 534.69 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 11857864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).