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

C15H12F3N3O2S2 — CID 22315630

IUPAC4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C15H12F3N3O2S2/c1-9-2-7-13(24-9)12-8-14(15(16,17)18)20-21(12)10-3-5-11(6-4-10)25(19,22)23/h2-8H,1H3,(H2,19,22,23)
InChIKeyCMAXXISYQHVGOB-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.58
Rot. Bonds3

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

4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315630) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315630
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC Name4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C15H12F3N3O2S2/c1-9-2-7-13(24-9)12-8-14(15(16,17)18)20-21(12)10-3-5-11(6-4-10)25(19,22)23/h2-8H,1H3,(H2,19,22,23)
InChIKeyCMAXXISYQHVGOB-UHFFFAOYSA-N
XLogP3.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315630) is 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CMAXXISYQHVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c1-9-2-7-13(24-9)12-8-14(15(16,17)18)20-21(12)10-3-5-11(6-4-10)25(19,22)23/h2-8H,1H3,(H2,19,22,23).
What are the key properties of 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 387.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).