4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide

C19H14FN3O3S — CID 164807065

IUPAC4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(S(=O)(=O)n2ccc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-2-12-21-19(24)15-5-9-17(10-6-15)27(25,26)23-13-11-18(22-23)14-3-7-16(20)8-4-14/h1,3-11,13H,12H2,(H,21,24)
InChIKeyKRQVMMSAZFRMHP-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.29
Rot. Bonds5

About 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide

4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide (PubChem CID 164807065) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
PubChem CID164807065
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(S(=O)(=O)n2ccc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H14FN3O3S/c1-2-12-21-19(24)15-5-9-17(10-6-15)27(25,26)23-13-11-18(22-23)14-3-7-16(20)8-4-14/h1,3-11,13H,12H2,(H,21,24)
InChIKeyKRQVMMSAZFRMHP-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

4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]-N-prop-2-ynylbenzamide
CID 166076143
4-[5-(4-methylphenyl)tetrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
CID 165007837
4-[5-(4-methoxyphenyl)tetrazol-2-yl]sulfonyl-N-prop-2-ynylbenzamide
CID 178035228
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8688477
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
2-(4-fluorophenyl)-N-prop-2-ynylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797117
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide
CID 8688476
2-[3-[(dimethylamino)methyl]phenyl]-3-(4-fluorophenyl)-N-prop-2-ynylquinoxaline-6-carboxamide
CID 169286565
N-but-2-ynyl-4-fluorobenzamide
CID 115866848
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide (CID 164807065) is 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(S(=O)(=O)n2ccc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
The InChIKey is KRQVMMSAZFRMHP-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)23-13-11-18(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-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide?
4-[3-(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-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 164807065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).