3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide

C26H34F2N2O3S — CID 11857639

IUPAC3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1C1CCN(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3
InChIKeyNHRXMVNDSUMAIN-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.22
Rot. Bonds7

About 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide

3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 11857639) has the molecular formula C26H34F2N2O3S and a molecular weight of 492.63 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID11857639
Molecular FormulaC26H34F2N2O3S
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1C1CCN(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3
InChIKeyNHRXMVNDSUMAIN-UHFFFAOYSA-N
XLogP5.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide (CID 11857639) is 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide is CC(C)Oc1ccccc1C1CCN(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is NHRXMVNDSUMAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3.
What are the key properties of 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide?
3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 492.63 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11857639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).