N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

C14H8Cl2FN3O3S2 — CID 112839264

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H8Cl2FN3O3S2/c15-12-7-11(13(16)24-12)25(22,23)19-14(21)10-5-6-20(18-10)9-3-1-8(17)2-4-9/h1-7H,(H,19,21)
InChIKeyKTRNEYAAUHXTAR-UHFFFAOYSA-N
MW420.27 g/mol
LogP3.50
Rot. Bonds4

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 112839264) has the molecular formula C14H8Cl2FN3O3S2 and a molecular weight of 420.27 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID112839264
Molecular FormulaC14H8Cl2FN3O3S2
Molecular Weight420.27 g/mol
Exact Mass418.94
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H8Cl2FN3O3S2/c15-12-7-11(13(16)24-12)25(22,23)19-14(21)10-5-6-20(18-10)9-3-1-8(17)2-4-9/h1-7H,(H,19,21)
InChIKeyKTRNEYAAUHXTAR-UHFFFAOYSA-N
XLogP3.50
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
CID 112839247
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 46436028
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43071659
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 112839264) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is KTRNEYAAUHXTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O3S2/c15-12-7-11(13(16)24-12)25(22,23)19-14(21)10-5-6-20(18-10)9-3-1-8(17)2-4-9/h1-7H,(H,19,21).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 112839264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).