3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C13H9ClFN3O3S — CID 8015629

IUPAC3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C13H9ClFN3O3S/c14-9-6-8(2-3-10(9)15)22(20,21)18-7-1-4-11-12(5-7)17-13(19)16-11/h1-6,18H,(H2,16,17,19)
InChIKeyCNOPLJVDZWWTIE-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 8015629) has the molecular formula C13H9ClFN3O3S and a molecular weight of 341.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID8015629
Molecular FormulaC13H9ClFN3O3S
Molecular Weight341.75 g/mol
Exact Mass341.00
IUPAC Name3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C13H9ClFN3O3S/c14-9-6-8(2-3-10(9)15)22(20,21)18-7-1-4-11-12(5-7)17-13(19)16-11/h1-6,18H,(H2,16,17,19)
InChIKeyCNOPLJVDZWWTIE-UHFFFAOYSA-N
XLogP2.45
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 8015629) is 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2[nH]1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is CNOPLJVDZWWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3S/c14-9-6-8(2-3-10(9)15)22(20,21)18-7-1-4-11-12(5-7)17-13(19)16-11/h1-6,18H,(H2,16,17,19).
What are the key properties of 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 341.75 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 8015629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).