4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide

C19H14FN3O3S — CID 155213377

IUPAC4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(S(=O)(=O)n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-2-12-21-19(24)15-5-9-17(10-6-15)27(25,26)23-18(11-13-22-23)14-3-7-16(20)8-4-14/h1,3-11,13H,12H2,(H,21,24)
InChIKeyWWCKDSAPSACQOF-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.29
Rot. Bonds5

About 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide

4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide (PubChem CID 155213377) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
PubChem CID155213377
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(S(=O)(=O)n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-2-12-21-19(24)15-5-9-17(10-6-15)27(25,26)23-18(11-13-22-23)14-3-7-16(20)8-4-14/h1,3-11,13H,12H2,(H,21,24)
InChIKeyWWCKDSAPSACQOF-UHFFFAOYSA-N
XLogP2.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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5-(aminosulfonyl)-2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
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4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide
CID 165121963
4-fluoro-N-[(2S)-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 165122293
4-fluoro-N-[(2S)-1-[4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 176733587
4-(aminosulfonyl)-N-[(1-benzyl-1H-pyrazol-4-yl)methyl]benzamide
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CID 56738390
4-(N,N-dimethylsulfamoyl)-N-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)benzamide
CID 71797644
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 17437544
1-[3-[[4-(2,2,2-Trifluoroethylcarbamoyl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxamide
CID 40170558
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide (CID 155213377) is 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(S(=O)(=O)n2nccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The InChIKey is WWCKDSAPSACQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-2-12-21-19(24)15-5-9-17(10-6-15)27(25,26)23-18(11-13-22-23)14-3-7-16(20)8-4-14/h1,3-11,13H,12H2,(H,21,24).
What are the key properties of 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide has a molecular weight of 383.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 155213377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).