N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide

C13H10BrN3O2S — CID 63563136

IUPACN-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H2,15,16,17)
InChIKeyCMXMJRYOAXMUJG-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide

N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide (PubChem CID 63563136) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
PubChem CID63563136
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC NameN-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H2,15,16,17)
InChIKeyCMXMJRYOAXMUJG-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide (CID 63563136) is N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1cccc(Br)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide?
The InChIKey is CMXMJRYOAXMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-9-4-3-5-10(8-9)20(18,19)17-13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H2,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide has a molecular weight of 352.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide is sourced from PubChem (CID 63563136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).