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

C13H10BrN3O3S — CID 2133825

IUPACN-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]1
InChIInChI=1S/C13H10BrN3O3S/c14-8-1-3-9(4-2-8)17-21(19,20)10-5-6-11-12(7-10)16-13(18)15-11/h1-7,17H,(H2,15,16,18)
InChIKeySLBAVEUPVNVRMI-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.42
Rot. Bonds3

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

N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2133825) has the molecular formula C13H10BrN3O3S and a molecular weight of 368.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2133825
Molecular FormulaC13H10BrN3O3S
Molecular Weight368.21 g/mol
Exact Mass366.96
IUPAC NameN-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]1
InChIInChI=1S/C13H10BrN3O3S/c14-8-1-3-9(4-2-8)17-21(19,20)10-5-6-11-12(7-10)16-13(18)15-11/h1-7,17H,(H2,15,16,18)
InChIKeySLBAVEUPVNVRMI-UHFFFAOYSA-N
XLogP2.42
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.42
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-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931306
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)-4-[(phenylcarbamoyl)amino]benzenesulfonamide
CID 987995
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331
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
N,N-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 787615

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2133825) is N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]1.
What is the InChIKey of N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is SLBAVEUPVNVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3S/c14-8-1-3-9(4-2-8)17-21(19,20)10-5-6-11-12(7-10)16-13(18)15-11/h1-7,17H,(H2,15,16,18).
What are the key properties of N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 368.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2133825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).