4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

C21H23N3O3S — CID 24599133

IUPAC4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-22-28(26,27)17-8-6-16(7-9-17)21(25)24-12-10-15(11-13-24)19-14-23-20-5-3-2-4-18(19)20/h2-9,14-15,22-23H,10-13H2,1H3
InChIKeySOBRJPSRSFMIJX-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.10
Rot. Bonds4

About 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 24599133) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID24599133
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-22-28(26,27)17-8-6-16(7-9-17)21(25)24-12-10-15(11-13-24)19-14-23-20-5-3-2-4-18(19)20/h2-9,14-15,22-23H,10-13H2,1H3
InChIKeySOBRJPSRSFMIJX-UHFFFAOYSA-N
XLogP3.10
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
4-[(E)-3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002182
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55527467
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 24599133) is 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is SOBRJPSRSFMIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-22-28(26,27)17-8-6-16(7-9-17)21(25)24-12-10-15(11-13-24)19-14-23-20-5-3-2-4-18(19)20/h2-9,14-15,22-23H,10-13H2,1H3.
What are the key properties of 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 24599133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).