1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide

C20H21N3O3S — CID 169415725

IUPAC1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)CC1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)16-8-11-23(12-9-16)20(24)15-4-1-3-14(13-15)17-5-2-6-19-18(17)7-10-22-19/h1-7,10,13,16,22H,8-9,11-12H2,(H2,21,25,26)
InChIKeyNWDVXAUHNIRZNB-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds3

About 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide

1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide (PubChem CID 169415725) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
PubChem CID169415725
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)CC1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)16-8-11-23(12-9-16)20(24)15-4-1-3-14(13-15)17-5-2-6-19-18(17)7-10-22-19/h1-7,10,13,16,22H,8-9,11-12H2,(H2,21,25,26)
InChIKeyNWDVXAUHNIRZNB-UHFFFAOYSA-N
XLogP2.73
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide (CID 169415725) is 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide is NS(=O)(=O)C1CCN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)CC1.
What is the InChIKey of 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide?
The InChIKey is NWDVXAUHNIRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c21-27(25,26)16-8-11-23(12-9-16)20(24)15-4-1-3-14(13-15)17-5-2-6-19-18(17)7-10-22-19/h1-7,10,13,16,22H,8-9,11-12H2,(H2,21,25,26).
What are the key properties of 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide?
1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide is sourced from PubChem (CID 169415725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).