4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide

C16H12F3N3O2S2 — CID 15485785

IUPAC4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccsc2CC3)cc1
InChIInChI=1S/C16H12F3N3O2S2/c17-16(18,19)15-12-5-6-13-11(7-8-25-13)14(12)22(21-15)9-1-3-10(4-2-9)26(20,23)24/h1-4,7-8H,5-6H2,(H2,20,23,24)
InChIKeyDWHORGOGFYYBCW-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.37
Rot. Bonds2

About 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide

4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide (PubChem CID 15485785) has the molecular formula C16H12F3N3O2S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide
PubChem CID15485785
Molecular FormulaC16H12F3N3O2S2
Molecular Weight399.42 g/mol
Exact Mass399.03
IUPAC Name4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccsc2CC3)cc1
InChIInChI=1S/C16H12F3N3O2S2/c17-16(18,19)15-12-5-6-13-11(7-8-25-13)14(12)22(21-15)9-1-3-10(4-2-9)26(20,23)24/h1-4,7-8H,5-6H2,(H2,20,23,24)
InChIKeyDWHORGOGFYYBCW-UHFFFAOYSA-N
XLogP3.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide (CID 15485785) is 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccsc2CC3)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide?
The InChIKey is DWHORGOGFYYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S2/c17-16(18,19)15-12-5-6-13-11(7-8-25-13)14(12)22(21-15)9-1-3-10(4-2-9)26(20,23)24/h1-4,7-8H,5-6H2,(H2,20,23,24).
What are the key properties of 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide?
4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide has a molecular weight of 399.42 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15485785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).