1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole

C20H19ClF2N2O2S — CID 158620437

IUPAC1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C20H19ClF2N2O2S/c21-15-7-2-3-10-18(15)28(26,27)25-13-14(20(22)23)19-16(8-6-9-17(19)25)24-11-4-1-5-12-24/h2-3,6-10,13,20H,1,4-5,11-12H2
InChIKeyIXXCLLOEHOKTEQ-UHFFFAOYSA-N
MW424.90 g/mol
LogP5.46
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole

1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole (PubChem CID 158620437) has the molecular formula C20H19ClF2N2O2S and a molecular weight of 424.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
PubChem CID158620437
Molecular FormulaC20H19ClF2N2O2S
Molecular Weight424.90 g/mol
Exact Mass424.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C20H19ClF2N2O2S/c21-15-7-2-3-10-18(15)28(26,27)25-13-14(20(22)23)19-16(8-6-9-17(19)25)24-11-4-1-5-12-24/h2-3,6-10,13,20H,1,4-5,11-12H2
InChIKeyIXXCLLOEHOKTEQ-UHFFFAOYSA-N
XLogP5.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.90
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(2-bromophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]piperazin-1-yl]-2,2,2-trichloroethanone
CID 126740581
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
CID 144993589
4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
CID 126740569
tert-butyl 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 126740503
6-chloro-3-(difluoromethyl)-4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]sulfonylindole
CID 118654370
6-bromo-3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-piperidin-1-ylindole
CID 162086301
3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 118654355
3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-nitroindole
CID 118648116
1-[4-[1-(2-bromophenyl)sulfonyl-6-chloro-3-(difluoromethyl)indol-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 126740571
1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole
CID 118654349
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
CID 150729010
2-[1-(2-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 46179326

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole (CID 158620437) is 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole is O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(N3CCCCC3)cccc21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole?
The InChIKey is IXXCLLOEHOKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2S/c21-15-7-2-3-10-18(15)28(26,27)25-13-14(20(22)23)19-16(8-6-9-17(19)25)24-11-4-1-5-12-24/h2-3,6-10,13,20H,1,4-5,11-12H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole?
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole has a molecular weight of 424.90 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole is sourced from PubChem (CID 158620437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).