2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide

C13H9Br2N3O2S — CID 61216548

IUPAC2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O2S/c14-8-4-5-13(10(15)6-8)21(19,20)18-12-3-1-2-11-9(12)7-16-17-11/h1-7,18H,(H,16,17)
InChIKeyBHXLWUVRCKQXPH-UHFFFAOYSA-N
MW431.11 g/mol
LogP3.89
Rot. Bonds3

About 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide

2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide (PubChem CID 61216548) has the molecular formula C13H9Br2N3O2S and a molecular weight of 431.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
PubChem CID61216548
Molecular FormulaC13H9Br2N3O2S
Molecular Weight431.11 g/mol
Exact Mass428.88
IUPAC Name2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O2S/c14-8-4-5-13(10(15)6-8)21(19,20)18-12-3-1-2-11-9(12)7-16-17-11/h1-7,18H,(H,16,17)
InChIKeyBHXLWUVRCKQXPH-UHFFFAOYSA-N
XLogP3.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.11
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide (CID 61216548) is 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2[nH]ncc12)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide?
The InChIKey is BHXLWUVRCKQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O2S/c14-8-4-5-13(10(15)6-8)21(19,20)18-12-3-1-2-11-9(12)7-16-17-11/h1-7,18H,(H,16,17).
What are the key properties of 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide?
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide has a molecular weight of 431.11 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 61216548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).