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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Related Compounds

N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3758195
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
3-N-(1H-benzimidazol-2-yl)-4-chloro-1-N,1-N-diethylbenzene-1,3-disulfonamide
CID 75433916

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).