4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide

C15H18N4O3S — CID 56738390

IUPAC4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)cc1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)13-5-3-11(4-6-13)15(20)19-9-1-2-12(10-19)14-7-8-17-18-14/h3-8,12H,1-2,9-10H2,(H,17,18)(H2,16,21,22)
InChIKeyHEPLJTPDJMSGAD-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.08
Rot. Bonds3

About 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide

4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56738390) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56738390
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)cc1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)13-5-3-11(4-6-13)15(20)19-9-1-2-12(10-19)14-7-8-17-18-14/h3-8,12H,1-2,9-10H2,(H,17,18)(H2,16,21,22)
InChIKeyHEPLJTPDJMSGAD-UHFFFAOYSA-N
XLogP1.08
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 16303626
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 17412557
N-methyl-4-(3-pyrazol-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 53561154
4-[(isobutylamino)sulfonyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 70740470
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-5-yl)propyl]amino}sulfonyl)benzamide
CID 70767134
N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
CID 70772587

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 56738390) is 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCCC(c3ccn[nH]3)C2)cc1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is HEPLJTPDJMSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-23(21,22)13-5-3-11(4-6-13)15(20)19-9-1-2-12(10-19)14-7-8-17-18-14/h3-8,12H,1-2,9-10H2,(H,17,18)(H2,16,21,22).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56738390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).