1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C25H29F2N3O4S — CID 170540684

IUPAC1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12
InChIInChI=1S/C25H29F2N3O4S/c26-23(27)18-5-7-20(8-6-18)35(32,33)30-17-25(21-3-1-2-4-22(21)30)11-13-29(14-12-25)24(31)28-19-9-15-34-16-10-19/h1-8,19,23H,9-17H2,(H,28,31)
InChIKeyWKLLAAFGPOQBQV-UHFFFAOYSA-N
MW505.59 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 170540684) has the molecular formula C25H29F2N3O4S and a molecular weight of 505.59 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID170540684
Molecular FormulaC25H29F2N3O4S
Molecular Weight505.59 g/mol
Exact Mass505.18
IUPAC Name1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12
InChIInChI=1S/C25H29F2N3O4S/c26-23(27)18-5-7-20(8-6-18)35(32,33)30-17-25(21-3-1-2-4-22(21)30)11-13-29(14-12-25)24(31)28-19-9-15-34-16-10-19/h1-8,19,23H,9-17H2,(H,28,31)
InChIKeyWKLLAAFGPOQBQV-UHFFFAOYSA-N
XLogP4.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]carbamate
CID 170540774
pyridin-3-ylmethyl 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 170540808
1-[4-(difluoromethyl)phenyl]sulfonyl-1'-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]
CID 170540859
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 161107271
2-amino-N-[1-[1-(benzenesulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 19030533
N-[1-[3-[4-(difluoromethyl)phenyl]propanoyl]piperidin-4-yl]morpholine-4-carboxamide
CID 138031579
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18004920
4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 144925862
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005000
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 170540684) is 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is O=C(NC1CCOCC1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is WKLLAAFGPOQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O4S/c26-23(27)18-5-7-20(8-6-18)35(32,33)30-17-25(21-3-1-2-4-22(21)30)11-13-29(14-12-25)24(31)28-19-9-15-34-16-10-19/h1-8,19,23H,9-17H2,(H,28,31).
What are the key properties of 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 505.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]sulfonyl-N-(oxan-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 170540684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).