1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane

C22H26ClF2N3O2S — CID 144993589

IUPAC1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
SMILESCC.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(CN3CCNCC3)cccc21
InChIInChI=1S/C20H20ClF2N3O2S.C2H6/c21-16-5-1-2-7-18(16)29(27,28)26-13-15(20(22)23)19-14(4-3-6-17(19)26)12-25-10-8-24-9-11-25;1-2/h1-7,13,20,24H,8-12H2;1-2H3
InChIKeyTURUAAWYVCJEJG-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.90
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane

1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane (PubChem CID 144993589) has the molecular formula C22H26ClF2N3O2S and a molecular weight of 469.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
PubChem CID144993589
Molecular FormulaC22H26ClF2N3O2S
Molecular Weight469.99 g/mol
Exact Mass469.14
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
SMILESCC.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(CN3CCNCC3)cccc21
InChIInChI=1S/C20H20ClF2N3O2S.C2H6/c21-16-5-1-2-7-18(16)29(27,28)26-13-15(20(22)23)19-14(4-3-6-17(19)26)12-25-10-8-24-9-11-25;1-2/h1-7,13,20,24H,8-12H2;1-2H3
InChIKeyTURUAAWYVCJEJG-UHFFFAOYSA-N
XLogP4.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
CID 158620437
1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
CID 67194314
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82666815
tert-butyl 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 126740503
4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
CID 126740569
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 66853251
3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 118654355
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)indol-3-yl]ethyl formate
CID 174801719
(2Z)-2-[[1-(2-chlorophenyl)sulfonylindol-3-yl]methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride
CID 86681975
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane (CID 144993589) is 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane is CC.O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(CN3CCNCC3)cccc21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane?
The InChIKey is TURUAAWYVCJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2S.C2H6/c21-16-5-1-2-7-18(16)29(27,28)26-13-15(20(22)23)19-14(4-3-6-17(19)26)12-25-10-8-24-9-11-25;1-2/h1-7,13,20,24H,8-12H2;1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane?
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane has a molecular weight of 469.99 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane is sourced from PubChem (CID 144993589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).