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

C16H14F3N3O2S2 — CID 19355316

IUPAC4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccs2)c1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2S2/c1-2-22-15(16(17,18)19)13(12-4-3-9-25-12)14(21-22)10-5-7-11(8-6-10)26(20,23)24/h3-9H,2H2,1H3,(H2,20,23,24)
InChIKeyMHNAXHZQIRYBFB-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.96
Rot. Bonds4

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

4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355316) has the molecular formula C16H14F3N3O2S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355316
Molecular FormulaC16H14F3N3O2S2
Molecular Weight401.44 g/mol
Exact Mass401.05
IUPAC Name4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccs2)c1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2S2/c1-2-22-15(16(17,18)19)13(12-4-3-9-25-12)14(21-22)10-5-7-11(8-6-10)26(20,23)24/h3-9H,2H2,1H3,(H2,20,23,24)
InChIKeyMHNAXHZQIRYBFB-UHFFFAOYSA-N
XLogP3.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355316) is 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccs2)c1C(F)(F)F.
What is the InChIKey of 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is MHNAXHZQIRYBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S2/c1-2-22-15(16(17,18)19)13(12-4-3-9-25-12)14(21-22)10-5-7-11(8-6-10)26(20,23)24/h3-9H,2H2,1H3,(H2,20,23,24).
What are the key properties of 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-thiophen-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).