N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide

C19H14F2N4O2S — CID 118721266

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12
InChIInChI=1S/C19H14F2N4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
InChIKeyQJFGDYHLSOYTBM-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.89
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 118721266) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID118721266
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12
InChIInChI=1S/C19H14F2N4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
InChIKeyQJFGDYHLSOYTBM-UHFFFAOYSA-N
XLogP3.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide 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-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide (CID 118721266) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is QJFGDYHLSOYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 400.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 118721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).