1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole

C17H17ClN2O2S2 — CID 10199819

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1ccc(Cl)s1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C17H17ClN2O2S2/c18-16-7-8-17(23-16)24(21,22)20-11-14(12-4-3-9-19-10-12)13-5-1-2-6-15(13)20/h1-2,5-8,11-12,19H,3-4,9-10H2
InChIKeyJJNCPALKVTYAFB-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole

1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole (PubChem CID 10199819) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole
PubChem CID10199819
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1ccc(Cl)s1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C17H17ClN2O2S2/c18-16-7-8-17(23-16)24(21,22)20-11-14(12-4-3-9-19-10-12)13-5-1-2-6-15(13)20/h1-2,5-8,11-12,19H,3-4,9-10H2
InChIKeyJJNCPALKVTYAFB-UHFFFAOYSA-N
XLogP4.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
5-chloro-N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 4729240
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(4-Chloro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9842551
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
CID 9956634
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(1-methyl-piperidin-4-yl)-1H-indol-5-yl]-amide
CID 10162467
N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methyl-benzo[b]thiophene-2-sulphonamide
CID 10182243
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-dipropylamino-ethyl)-1H-indol-5-yl]-amide
CID 10278839
1-(3-Chlorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 44403304
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
Thiophene sulfonyltryptamine, 11m
CID 23655468

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole (CID 10199819) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole is O=S(=O)(c1ccc(Cl)s1)n1cc(C2CCCNC2)c2ccccc21.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole?
The InChIKey is JJNCPALKVTYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S2/c18-16-7-8-17(23-16)24(21,22)20-11-14(12-4-3-9-19-10-12)13-5-1-2-6-15(13)20/h1-2,5-8,11-12,19H,3-4,9-10H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole?
1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole has a molecular weight of 380.92 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-piperidin-3-ylindole is sourced from PubChem (CID 10199819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).