N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide

C19H13Cl2FN4O2S — CID 11633803

IUPACN-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
SMILESNc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12
InChIInChI=1S/C19H13Cl2FN4O2S/c20-14-2-1-3-15(16(14)21)29(27,28)26-11-6-4-10(5-7-11)12-8-9-13-18(17(12)22)24-25-19(13)23/h1-9,26H,(H3,23,24,25)
InChIKeyLOEXTTFCEPXVLM-UHFFFAOYSA-N
MW451.31 g/mol
LogP5.06
Rot. Bonds4

About N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide

N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide (PubChem CID 11633803) has the molecular formula C19H13Cl2FN4O2S and a molecular weight of 451.31 g/mol. Its IUPAC name is N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
PubChem CID11633803
Molecular FormulaC19H13Cl2FN4O2S
Molecular Weight451.31 g/mol
Exact Mass450.01
IUPAC NameN-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
SMILESNc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12
InChIInChI=1S/C19H13Cl2FN4O2S/c20-14-2-1-3-15(16(14)21)29(27,28)26-11-6-4-10(5-7-11)12-8-9-13-18(17(12)22)24-25-19(13)23/h1-9,26H,(H3,23,24,25)
InChIKeyLOEXTTFCEPXVLM-UHFFFAOYSA-N
XLogP5.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide 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-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide (CID 11633803) is N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide is Nc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is LOEXTTFCEPXVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4O2S/c20-14-2-1-3-15(16(14)21)29(27,28)26-11-6-4-10(5-7-11)12-8-9-13-18(17(12)22)24-25-19(13)23/h1-9,26H,(H3,23,24,25).
What are the key properties of N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 451.31 g/mol, XLogP of 5.06, 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-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 11633803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).