4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

C14H12N4O2S — CID 19355817

IUPAC4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H12N4O2S/c15-21(19,20)12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyNACFGMYWZMFZEW-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.79
Rot. Bonds3

About 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 19355817) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID19355817
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H12N4O2S/c15-21(19,20)12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyNACFGMYWZMFZEW-UHFFFAOYSA-N
XLogP1.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Elnd-007
CID 46912223
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25127876
Pyridine-based ligand, 12
CID 4450789
(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890880
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883
4'-Cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridine] (enantiomeric mix)
CID 46891052
(1S,8R)-13-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552253
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (CID 19355817) is 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is NACFGMYWZMFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-21(19,20)12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)(H2,15,19,20).
What are the key properties of 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 19355817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).