2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole

C19H20N2O2S — CID 113088605

IUPAC2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H20N2O2S/c22-24(23,17-9-2-1-3-10-17)21-12-6-8-16(14-21)19-13-15-7-4-5-11-18(15)20-19/h1-5,7,9-11,13,16,20H,6,8,12,14H2
InChIKeyLITCTLXJDNVWKA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.74
Rot. Bonds3

About 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole

2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole (PubChem CID 113088605) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
PubChem CID113088605
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H20N2O2S/c22-24(23,17-9-2-1-3-10-17)21-12-6-8-16(14-21)19-13-15-7-4-5-11-18(15)20-19/h1-5,7,9-11,13,16,20H,6,8,12,14H2
InChIKeyLITCTLXJDNVWKA-UHFFFAOYSA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.74
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
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-cyclohexyl-1H-indole
CID 607977
2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole (CID 113088605) is 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole is O=S(=O)(c1ccccc1)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole?
The InChIKey is LITCTLXJDNVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-24(23,17-9-2-1-3-10-17)21-12-6-8-16(14-21)19-13-15-7-4-5-11-18(15)20-19/h1-5,7,9-11,13,16,20H,6,8,12,14H2.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole?
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole has a molecular weight of 340.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole is sourced from PubChem (CID 113088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).