3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

C15H13F3N4O2S — CID 59531708

IUPAC3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)14-11-3-1-2-4-13(11)22(21-14)12-6-5-10(25(20,23)24)7-9(12)8-19/h5-7H,1-4H2,(H2,20,23,24)
InChIKeyOEKPYPXQRKATFK-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.29
Rot. Bonds2

About 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (PubChem CID 59531708) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
PubChem CID59531708
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)14-11-3-1-2-4-13(11)22(21-14)12-6-5-10(25(20,23)24)7-9(12)8-19/h5-7H,1-4H2,(H2,20,23,24)
InChIKeyOEKPYPXQRKATFK-UHFFFAOYSA-N
XLogP2.29
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (CID 59531708) is 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is N#Cc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The InChIKey is OEKPYPXQRKATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c16-15(17,18)14-11-3-1-2-4-13(11)22(21-14)12-6-5-10(25(20,23)24)7-9(12)8-19/h5-7H,1-4H2,(H2,20,23,24).
What are the key properties of 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide has a molecular weight of 370.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 59531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).