N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide

C14H12BrN3O2S — CID 63563135

IUPACN-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-7-13(10(15)8-9)21(19,20)18-14-16-11-4-2-3-5-12(11)17-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyMBMCFXNHVCBTKY-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.43
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide

N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 63563135) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID63563135
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-7-13(10(15)8-9)21(19,20)18-14-16-11-4-2-3-5-12(11)17-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyMBMCFXNHVCBTKY-UHFFFAOYSA-N
XLogP3.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.43
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)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide (CID 63563135) is N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(Br)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is MBMCFXNHVCBTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-6-7-13(10(15)8-9)21(19,20)18-14-16-11-4-2-3-5-12(11)17-14/h2-8H,1H3,(H2,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.43, 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)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 63563135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).