4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide

C19H14F3N3O2S — CID 21467472

IUPAC4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide
SMILESCc1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(N)(=O)=O)cc4)c32)c1F
InChIInChI=1S/C19H14F3N3O2S/c1-10-2-7-14-13(16(10)20)8-9-15-17(19(21)22)24-25(18(14)15)11-3-5-12(6-4-11)28(23,26)27/h2-9,19H,1H3,(H2,23,26,27)
InChIKeyOPZOYBJVWMEHID-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.21
Rot. Bonds3

About 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide (PubChem CID 21467472) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide
PubChem CID21467472
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide
SMILESCc1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(N)(=O)=O)cc4)c32)c1F
InChIInChI=1S/C19H14F3N3O2S/c1-10-2-7-14-13(16(10)20)8-9-15-17(19(21)22)24-25(18(14)15)11-3-5-12(6-4-11)28(23,26)27/h2-9,19H,1H3,(H2,23,26,27)
InChIKeyOPZOYBJVWMEHID-UHFFFAOYSA-N
XLogP4.21
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide (CID 21467472) is 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide is Cc1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(N)(=O)=O)cc4)c32)c1F.
What is the InChIKey of 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide?
The InChIKey is OPZOYBJVWMEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c1-10-2-7-14-13(16(10)20)8-9-15-17(19(21)22)24-25(18(14)15)11-3-5-12(6-4-11)28(23,26)27/h2-9,19H,1H3,(H2,23,26,27).
What are the key properties of 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide has a molecular weight of 405.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-6-fluoro-7-methylbenzo[g]indazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 21467472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).