2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole

C20H21ClN2O2S — CID 113088723

IUPAC2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4Cl)C3)cc2c1
InChIInChI=1S/C20H21ClN2O2S/c1-14-8-9-18-16(11-14)12-19(22-18)15-5-4-10-23(13-15)26(24,25)20-7-3-2-6-17(20)21/h2-3,6-9,11-12,15,22H,4-5,10,13H2,1H3
InChIKeyYOZVZDHNWIETSM-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.70
Rot. Bonds3

About 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole

2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole (PubChem CID 113088723) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
PubChem CID113088723
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4Cl)C3)cc2c1
InChIInChI=1S/C20H21ClN2O2S/c1-14-8-9-18-16(11-14)12-19(22-18)15-5-4-10-23(13-15)26(24,25)20-7-3-2-6-17(20)21/h2-3,6-9,11-12,15,22H,4-5,10,13H2,1H3
InChIKeyYOZVZDHNWIETSM-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-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The IUPAC name of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole (CID 113088723) is 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole.
What is the SMILES notation for 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The canonical SMILES for 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole is Cc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4Cl)C3)cc2c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The InChIKey is YOZVZDHNWIETSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-14-8-9-18-16(11-14)12-19(22-18)15-5-4-10-23(13-15)26(24,25)20-7-3-2-6-17(20)21/h2-3,6-9,11-12,15,22H,4-5,10,13H2,1H3.
What are the key properties of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-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-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole is sourced from PubChem (CID 113088723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).