2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

C14H12BrN3O2S — CID 61215553

IUPAC2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2[nH]1
InChIInChI=1S/C14H12BrN3O2S/c1-9-16-12-7-6-10(8-13(12)17-9)18-21(19,20)14-5-3-2-4-11(14)15/h2-8,18H,1H3,(H,16,17)
InChIKeyYRSNWSWIWIJQKR-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.43
Rot. Bonds3

About 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 61215553) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID61215553
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2[nH]1
InChIInChI=1S/C14H12BrN3O2S/c1-9-16-12-7-6-10(8-13(12)17-9)18-21(19,20)14-5-3-2-4-11(14)15/h2-8,18H,1H3,(H,16,17)
InChIKeyYRSNWSWIWIJQKR-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

2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 3695952
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 61215553) is 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2[nH]1.
What is the InChIKey of 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is YRSNWSWIWIJQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-16-12-7-6-10(8-13(12)17-9)18-21(19,20)14-5-3-2-4-11(14)15/h2-8,18H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide 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 2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61215553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).