1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide

C23H25F4N3O6S3 — CID 52942849

IUPAC1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H25F4N3O6S3/c1-22(2,28-39(35,36)23(25,26)27)17-11-13-29(14-12-17)38(33,34)21-15-16-7-3-5-9-19(16)30(21)37(31,32)20-10-6-4-8-18(20)24/h3-10,15,17,28H,11-14H2,1-2H3
InChIKeyFYGIHGGBGPPFTK-UHFFFAOYSA-N
MW611.66 g/mol
LogP3.64
Rot. Bonds7

About 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide (PubChem CID 52942849) has the molecular formula C23H25F4N3O6S3 and a molecular weight of 611.66 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide
PubChem CID52942849
Molecular FormulaC23H25F4N3O6S3
Molecular Weight611.66 g/mol
Exact Mass611.08
IUPAC Name1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H25F4N3O6S3/c1-22(2,28-39(35,36)23(25,26)27)17-11-13-29(14-12-17)38(33,34)21-15-16-7-3-5-9-19(16)30(21)37(31,32)20-10-6-4-8-18(20)24/h3-10,15,17,28H,11-14H2,1-2H3
InChIKeyFYGIHGGBGPPFTK-UHFFFAOYSA-N
XLogP3.64
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.66
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-2-(trifluoromethylsulfonyl)-2,7-diazaspiro[3.5]nonane
CID 52949380
N-[6-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
CID 11606321
1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide
CID 58862165
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
2,2,2-trifluoro-N-[1-[4-[[1-(2-fluorophenyl)sulfonylindol-2-yl]-hydroxymethyl]phenyl]ethyl]acetamide
CID 10006891
2,2,2-trifluoro-N-[(1S)-1-[4-[[1-(2-fluorophenyl)sulfonylindol-2-yl]-hydroxymethyl]phenyl]ethyl]acetamide
CID 58862140
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119573293
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide (CID 52942849) is 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide?
The InChIKey is FYGIHGGBGPPFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O6S3/c1-22(2,28-39(35,36)23(25,26)27)17-11-13-29(14-12-17)38(33,34)21-15-16-7-3-5-9-19(16)30(21)37(31,32)20-10-6-4-8-18(20)24/h3-10,15,17,28H,11-14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide has a molecular weight of 611.66 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[1-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylpiperidin-4-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 52942849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).