5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide

C14H12BrN3O3S — CID 8002117

IUPAC5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3O3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-11-4-2-9-8-16-17-12(9)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyWMKBFTQJNARTKM-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.13
Rot. Bonds4

About 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 8002117) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
PubChem CID8002117
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC Name5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3O3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-11-4-2-9-8-16-17-12(9)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyWMKBFTQJNARTKM-UHFFFAOYSA-N
XLogP3.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide 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 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide (CID 8002117) is 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is WMKBFTQJNARTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-11-4-2-9-8-16-17-12(9)7-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 382.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 8002117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).