(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone

C26H22F2N2O3S — CID 58975205

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C26H22F2N2O3S/c27-26(28)14-16-29(17-15-26)25(31)20-10-12-21(13-11-20)34(32,33)30-18-23(19-6-2-1-3-7-19)22-8-4-5-9-24(22)30/h1-13,18H,14-17H2
InChIKeyKTSWOINZHHHPAF-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.42
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone (PubChem CID 58975205) has the molecular formula C26H22F2N2O3S and a molecular weight of 480.54 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
PubChem CID58975205
Molecular FormulaC26H22F2N2O3S
Molecular Weight480.54 g/mol
Exact Mass480.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C26H22F2N2O3S/c27-26(28)14-16-29(17-15-26)25(31)20-10-12-21(13-11-20)34(32,33)30-18-23(19-6-2-1-3-7-19)22-8-4-5-9-24(22)30/h1-13,18H,14-17H2
InChIKeyKTSWOINZHHHPAF-UHFFFAOYSA-N
XLogP5.42
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

[3-(4-fluoroanilino)pyrrolidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 67023311
[3-[[(6-fluoro-2-pyridinyl)amino]methyl]azetidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975016
N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58975055
N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
CID 58975151
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
N-[1-(4-methylphenyl)azetidin-3-yl]-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855815
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855813
[3-[1-(4-methylphenyl)sulfonylindol-3-yl]phenyl]-[4-(6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 172890242
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
[(2S)-1-[[3-[1-(benzenesulfonyl)indol-3-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360100
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone (CID 58975205) is (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone is O=C(c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone?
The InChIKey is KTSWOINZHHHPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O3S/c27-26(28)14-16-29(17-15-26)25(31)20-10-12-21(13-11-20)34(32,33)30-18-23(19-6-2-1-3-7-19)22-8-4-5-9-24(22)30/h1-13,18H,14-17H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone has a molecular weight of 480.54 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 58975205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).