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

C13H9BrFN3O3S — CID 8777078

IUPACN-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2[nH]1
InChIInChI=1S/C13H9BrFN3O3S/c14-7-1-3-10(9(15)5-7)18-22(20,21)8-2-4-11-12(6-8)17-13(19)16-11/h1-6,18H,(H2,16,17,19)
InChIKeyUMIPIXBVCJQHPR-UHFFFAOYSA-N
MW386.20 g/mol
LogP2.56
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 8777078) has the molecular formula C13H9BrFN3O3S and a molecular weight of 386.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID8777078
Molecular FormulaC13H9BrFN3O3S
Molecular Weight386.20 g/mol
Exact Mass384.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2[nH]1
InChIInChI=1S/C13H9BrFN3O3S/c14-7-1-3-10(9(15)5-7)18-22(20,21)8-2-4-11-12(6-8)17-13(19)16-11/h1-6,18H,(H2,16,17,19)
InChIKeyUMIPIXBVCJQHPR-UHFFFAOYSA-N
XLogP2.56
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-(4-Bromophenyl)ureido)benzenesulfonamide
CID 27869982
1-(4-Bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836370
N-(4-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931424
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
N'-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonohydrazide
CID 127027138
N'-(4-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonohydrazide
CID 127027140
N-(4-fluorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701109
N-methyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2957874
1,3-dimethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1242526
N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2955763
N-(3-Fluoro-4-methylphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7602568
N-cyclohexyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2956642

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 8777078) is N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2[nH]1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is UMIPIXBVCJQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O3S/c14-7-1-3-10(9(15)5-7)18-22(20,21)8-2-4-11-12(6-8)17-13(19)16-11/h1-6,18H,(H2,16,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 386.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 8777078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).