3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole

C20H21ClN2O2S — CID 113086589

IUPAC3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN2O2S/c21-17-4-3-5-18(13-17)26(24,25)23-10-8-15(9-11-23)12-16-14-22-20-7-2-1-6-19(16)20/h1-7,13-15,22H,8-12H2
InChIKeyDVGITYIHMMCBAH-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.46
Rot. Bonds4

About 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole

3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole (PubChem CID 113086589) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
PubChem CID113086589
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN2O2S/c21-17-4-3-5-18(13-17)26(24,25)23-10-8-15(9-11-23)12-16-14-22-20-7-2-1-6-19(16)20/h1-7,13-15,22H,8-12H2
InChIKeyDVGITYIHMMCBAH-UHFFFAOYSA-N
XLogP4.46
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086588
3-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-indole
CID 113086583
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
CID 71068252
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113087788
(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 113086444
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The IUPAC name of 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole (CID 113086589) is 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole is O=S(=O)(c1cccc(Cl)c1)N1CCC(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The InChIKey is DVGITYIHMMCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-17-4-3-5-18(13-17)26(24,25)23-10-8-15(9-11-23)12-16-14-22-20-7-2-1-6-19(16)20/h1-7,13-15,22H,8-12H2.
What are the key properties of 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole has a molecular weight of 388.92 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole is sourced from PubChem (CID 113086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).