[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone

C26H28F4N2O3S — CID 170540681

IUPAC[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12)N1CCC(F)(F)CC1
InChIInChI=1S/C26H28F4N2O3S/c27-23(28)18-5-7-20(8-6-18)36(34,35)32-17-25(21-3-1-2-4-22(21)32)11-9-19(10-12-25)24(33)31-15-13-26(29,30)14-16-31/h1-8,19,23H,9-17H2
InChIKeyMNNYDMYRBUAESF-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.52
Rot. Bonds4

About [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 170540681) has the molecular formula C26H28F4N2O3S and a molecular weight of 524.58 g/mol. Its IUPAC name is [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID170540681
Molecular FormulaC26H28F4N2O3S
Molecular Weight524.58 g/mol
Exact Mass524.18
IUPAC Name[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12)N1CCC(F)(F)CC1
InChIInChI=1S/C26H28F4N2O3S/c27-23(28)18-5-7-20(8-6-18)36(34,35)32-17-25(21-3-1-2-4-22(21)32)11-9-19(10-12-25)24(33)31-15-13-26(29,30)14-16-31/h1-8,19,23H,9-17H2
InChIKeyMNNYDMYRBUAESF-UHFFFAOYSA-N
XLogP5.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone 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 [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 170540681) is [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12)N1CCC(F)(F)CC1.
What is the InChIKey of [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is MNNYDMYRBUAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N2O3S/c27-23(28)18-5-7-20(8-6-18)36(34,35)32-17-25(21-3-1-2-4-22(21)32)11-9-19(10-12-25)24(33)31-15-13-26(29,30)14-16-31/h1-8,19,23H,9-17H2.
What are the key properties of [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 524.58 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 170540681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).