2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole

C20H21ClN2O2S — CID 113087902

IUPAC2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1cc(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O2S/c1-14-12-17(6-7-18(14)21)26(24,25)23-10-8-15(9-11-23)20-13-16-4-2-3-5-19(16)22-20/h2-7,12-13,15,22H,8-11H2,1H3
InChIKeyJZBFNEFXOYNYTB-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.70
Rot. Bonds3

About 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole

2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 113087902) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID113087902
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCc1cc(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O2S/c1-14-12-17(6-7-18(14)21)26(24,25)23-10-8-15(9-11-23)20-13-16-4-2-3-5-19(16)22-20/h2-7,12-13,15,22H,8-11H2,1H3
InChIKeyJZBFNEFXOYNYTB-UHFFFAOYSA-N
XLogP4.70
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1H-indole
CID 113087895
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088184
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
CID 56799944
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
3-[[4-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 166239289
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 53130869

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (CID 113087902) is 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is Cc1cc(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is JZBFNEFXOYNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-14-12-17(6-7-18(14)21)26(24,25)23-10-8-15(9-11-23)20-13-16-4-2-3-5-19(16)22-20/h2-7,12-13,15,22H,8-11H2,1H3.
What are the key properties of 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 388.92 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 113087902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).