1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide

C17H21BrN4O3S — CID 19282977

IUPAC1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21BrN4O3S/c18-15-12-20-21(13-15)11-8-19-17(23)14-6-9-22(10-7-14)26(24,25)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,19,23)
InChIKeyKYUCZCLJGBMESG-UHFFFAOYSA-N
MW441.35 g/mol
LogP1.86
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 19282977) has the molecular formula C17H21BrN4O3S and a molecular weight of 441.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID19282977
Molecular FormulaC17H21BrN4O3S
Molecular Weight441.35 g/mol
Exact Mass440.05
IUPAC Name1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21BrN4O3S/c18-15-12-20-21(13-15)11-8-19-17(23)14-6-9-22(10-7-14)26(24,25)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,19,23)
InChIKeyKYUCZCLJGBMESG-UHFFFAOYSA-N
XLogP1.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide (CID 19282977) is 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide is O=C(NCCn1cc(Br)cn1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KYUCZCLJGBMESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O3S/c18-15-12-20-21(13-15)11-8-19-17(23)14-6-9-22(10-7-14)26(24,25)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,19,23).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 441.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 19282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).