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

C17H13BrN4O2S2 — CID 118721253

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)s4)cc3)ccc12
InChIInChI=1S/C17H13BrN4O2S2/c18-15-7-8-16(25-15)26(23,24)22-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-21-17(13)19/h1-9,22H,(H3,19,20,21)
InChIKeyJYACJGJNMOFRNJ-UHFFFAOYSA-N
MW449.36 g/mol
LogP4.44
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide (PubChem CID 118721253) has the molecular formula C17H13BrN4O2S2 and a molecular weight of 449.36 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide
PubChem CID118721253
Molecular FormulaC17H13BrN4O2S2
Molecular Weight449.36 g/mol
Exact Mass447.97
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)s4)cc3)ccc12
InChIInChI=1S/C17H13BrN4O2S2/c18-15-7-8-16(25-15)26(23,24)22-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-21-17(13)19/h1-9,22H,(H3,19,20,21)
InChIKeyJYACJGJNMOFRNJ-UHFFFAOYSA-N
XLogP4.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide 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]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide (CID 118721253) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)s4)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is JYACJGJNMOFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S2/c18-15-7-8-16(25-15)26(23,24)22-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-21-17(13)19/h1-9,22H,(H3,19,20,21).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 449.36 g/mol, XLogP of 4.44, 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]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 118721253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).