N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H12BrN3O3S — CID 7586545

IUPACN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Br
InChIInChI=1S/C14H12BrN3O3S/c1-8-6-9(2-4-11(8)15)18-22(20,21)10-3-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyVJYZHHSVGJMAFU-UHFFFAOYSA-N
MW382.24 g/mol
LogP2.73
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7586545) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7586545
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC NameN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Br
InChIInChI=1S/C14H12BrN3O3S/c1-8-6-9(2-4-11(8)15)18-22(20,21)10-3-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyVJYZHHSVGJMAFU-UHFFFAOYSA-N
XLogP2.73
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7586545) is N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is VJYZHHSVGJMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-8-6-9(2-4-11(8)15)18-22(20,21)10-3-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 382.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7586545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).