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

C17H12Cl2N4O2S2 — CID 118721256

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)ccc12
InChIInChI=1S/C17H12Cl2N4O2S2/c18-15-8-14(16(19)26-15)27(24,25)23-11-4-1-9(2-5-11)10-3-6-12-13(7-10)21-22-17(12)20/h1-8,23H,(H3,20,21,22)
InChIKeyJSRVMJYYTDBAOS-UHFFFAOYSA-N
MW439.35 g/mol
LogP4.98
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 118721256) has the molecular formula C17H12Cl2N4O2S2 and a molecular weight of 439.35 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID118721256
Molecular FormulaC17H12Cl2N4O2S2
Molecular Weight439.35 g/mol
Exact Mass437.98
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)ccc12
InChIInChI=1S/C17H12Cl2N4O2S2/c18-15-8-14(16(19)26-15)27(24,25)23-11-4-1-9(2-5-11)10-3-6-12-13(7-10)21-22-17(12)20/h1-8,23H,(H3,20,21,22)
InChIKeyJSRVMJYYTDBAOS-UHFFFAOYSA-N
XLogP4.98
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
CID 118721271
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
CID 118721258
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 118721259
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
CID 11524857
N-[4-(3-Amino-1h-Indazol-5-Yl)phenyl]-3-Chlorobenzenesulfonamide
CID 60196236
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide
CID 118721253
N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
CID 118721257
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
CID 118721260
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-cyanobenzenesulfonamide
CID 118721262
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-fluorobenzenesulfonamide
CID 118721270
US9718825, Example 572
CID 136213465
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 118721252

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (CID 118721256) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is JSRVMJYYTDBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2S2/c18-15-8-14(16(19)26-15)27(24,25)23-11-4-1-9(2-5-11)10-3-6-12-13(7-10)21-22-17(12)20/h1-8,23H,(H3,20,21,22).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 439.35 g/mol, XLogP of 4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 118721256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).