N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide

C20H17F3N4O2S — CID 67725710

IUPACN-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc2c(ccc3cnn(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c32)c1
InChIInChI=1S/C20H17F3N4O2S/c1-26(2)16-8-9-18-13(10-16)6-7-14-12-24-27(19(14)18)25-30(28,29)17-5-3-4-15(11-17)20(21,22)23/h3-12,25H,1-2H3
InChIKeyBGUDOXTVIGDDEI-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.21
Rot. Bonds4

About N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67725710) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67725710
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC NameN-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc2c(ccc3cnn(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c32)c1
InChIInChI=1S/C20H17F3N4O2S/c1-26(2)16-8-9-18-13(10-16)6-7-14-12-24-27(19(14)18)25-30(28,29)17-5-3-4-15(11-17)20(21,22)23/h3-12,25H,1-2H3
InChIKeyBGUDOXTVIGDDEI-UHFFFAOYSA-N
XLogP4.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)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 N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 67725710) is N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)c1ccc2c(ccc3cnn(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c32)c1.
What is the InChIKey of N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BGUDOXTVIGDDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-26(2)16-8-9-18-13(10-16)6-7-14-12-24-27(19(14)18)25-30(28,29)17-5-3-4-15(11-17)20(21,22)23/h3-12,25H,1-2H3.
What are the key properties of N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 434.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)benzo[g]indazol-1-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67725710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).