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

C13H8BrF2N3O3S — CID 71867316

IUPAC6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C13H8BrF2N3O3S/c14-7-4-10-11(18-13(20)17-10)5-12(7)23(21,22)19-9-2-1-6(15)3-8(9)16/h1-5,19H,(H2,17,18,20)
InChIKeyMTTBQTAGPWUNJB-UHFFFAOYSA-N
MW404.19 g/mol
LogP2.70
Rot. Bonds3

About 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 71867316) has the molecular formula C13H8BrF2N3O3S and a molecular weight of 404.19 g/mol. Its IUPAC name is 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID71867316
Molecular FormulaC13H8BrF2N3O3S
Molecular Weight404.19 g/mol
Exact Mass402.94
IUPAC Name6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C13H8BrF2N3O3S/c14-7-4-10-11(18-13(20)17-10)5-12(7)23(21,22)19-9-2-1-6(15)3-8(9)16/h1-5,19H,(H2,17,18,20)
InChIKeyMTTBQTAGPWUNJB-UHFFFAOYSA-N
XLogP2.70
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.19
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 71867316) is 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3F)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is MTTBQTAGPWUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3O3S/c14-7-4-10-11(18-13(20)17-10)5-12(7)23(21,22)19-9-2-1-6(15)3-8(9)16/h1-5,19H,(H2,17,18,20).
What are the key properties of 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 404.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 71867316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).