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

C9H10BrN3O2S — CID 83084672

IUPAC1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)CBr)cc2[nH]1
InChIInChI=1S/C9H10BrN3O2S/c1-6-11-8-3-2-7(4-9(8)12-6)13-16(14,15)5-10/h2-4,13H,5H2,1H3,(H,11,12)
InChIKeyBGSMHMUZKXLTNA-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.97
Rot. Bonds3

About 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide

1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide (PubChem CID 83084672) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
PubChem CID83084672
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)CBr)cc2[nH]1
InChIInChI=1S/C9H10BrN3O2S/c1-6-11-8-3-2-7(4-9(8)12-6)13-16(14,15)5-10/h2-4,13H,5H2,1H3,(H,11,12)
InChIKeyBGSMHMUZKXLTNA-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
3-chloro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propane-1-sulfonamide
CID 79586209
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
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
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
1-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methanesulfonamide
CID 83083735
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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide (CID 83084672) is 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide is Cc1nc2ccc(NS(=O)(=O)CBr)cc2[nH]1.
What is the InChIKey of 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
The InChIKey is BGSMHMUZKXLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S/c1-6-11-8-3-2-7(4-9(8)12-6)13-16(14,15)5-10/h2-4,13H,5H2,1H3,(H,11,12).
What are the key properties of 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide?
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide has a molecular weight of 304.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 83084672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).