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

C20H21F2NO2S — CID 174158811

IUPAC1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
SMILESO=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C20H21F2NO2S/c21-19(22)15-8-10-16(11-9-15)26(24,25)23-14-20(12-4-1-5-13-20)17-6-2-3-7-18(17)23/h2-3,6-11,19H,1,4-5,12-14H2
InChIKeyGGMYPTFQFZUJGI-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.03
Rot. Bonds3

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

1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane] (PubChem CID 174158811) has the molecular formula C20H21F2NO2S and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane].

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
PubChem CID174158811
Molecular FormulaC20H21F2NO2S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
SMILESO=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C20H21F2NO2S/c21-19(22)15-8-10-16(11-9-15)26(24,25)23-14-20(12-4-1-5-13-20)17-6-2-3-7-18(17)23/h2-3,6-11,19H,1,4-5,12-14H2
InChIKeyGGMYPTFQFZUJGI-UHFFFAOYSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane] (CID 174158811) is 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane].
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane] is O=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCCCC2)c2ccccc21.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]?
The InChIKey is GGMYPTFQFZUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2S/c21-19(22)15-8-10-16(11-9-15)26(24,25)23-14-20(12-4-1-5-13-20)17-6-2-3-7-18(17)23/h2-3,6-11,19H,1,4-5,12-14H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]?
1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane] has a molecular weight of 377.46 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane] is sourced from PubChem (CID 174158811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).