4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H9BrF3N3O2S2 — CID 10742263

IUPAC4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyTVETVUKIGCRVNH-UHFFFAOYSA-N
MW452.28 g/mol
LogP4.03
Rot. Bonds3

About 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10742263) has the molecular formula C14H9BrF3N3O2S2 and a molecular weight of 452.28 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10742263
Molecular FormulaC14H9BrF3N3O2S2
Molecular Weight452.28 g/mol
Exact Mass450.93
IUPAC Name4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyTVETVUKIGCRVNH-UHFFFAOYSA-N
XLogP4.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10742263) is 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is TVETVUKIGCRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23).
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 452.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).