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

C26H32ClFN2O3S — CID 11857711

IUPAC5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C26H32ClFN2O3S/c27-19-5-12-24(28)26(17-19)34(31,32)29-20-6-8-21(9-7-20)30-15-13-18(14-16-30)23-3-1-2-4-25(23)33-22-10-11-22/h1-5,12,17-18,20-22,29H,6-11,13-16H2
InChIKeyLVDRNYWTLKUNNT-UHFFFAOYSA-N
MW507.07 g/mol
LogP5.49
Rot. Bonds7

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

5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide (PubChem CID 11857711) has the molecular formula C26H32ClFN2O3S and a molecular weight of 507.07 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide
PubChem CID11857711
Molecular FormulaC26H32ClFN2O3S
Molecular Weight507.07 g/mol
Exact Mass506.18
IUPAC Name5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C26H32ClFN2O3S/c27-19-5-12-24(28)26(17-19)34(31,32)29-20-6-8-21(9-7-20)30-15-13-18(14-16-30)23-3-1-2-4-25(23)33-22-10-11-22/h1-5,12,17-18,20-22,29H,6-11,13-16H2
InChIKeyLVDRNYWTLKUNNT-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.07
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
{(2S)-2-(3-Chlorophenyl)-4-[4-(2-methoxyphenyl)piperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478412
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-methoxybenzenesulfonamide
CID 11857710
5-chloro-2-methoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857792
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-(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
4-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 44426405
4-fluoro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71449641
3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71454998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide (CID 11857711) is 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide is O=S(=O)(NC1CCC(N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide?
The InChIKey is LVDRNYWTLKUNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN2O3S/c27-19-5-12-24(28)26(17-19)34(31,32)29-20-6-8-21(9-7-20)30-15-13-18(14-16-30)23-3-1-2-4-25(23)33-22-10-11-22/h1-5,12,17-18,20-22,29H,6-11,13-16H2.
What are the key properties of 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide?
5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide has a molecular weight of 507.07 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-(2-cyclopropyloxyphenyl)piperidin-1-yl]cyclohexyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 11857711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).