6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide

C14H9ClF3N3O3S — CID 53092160

IUPAC6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C14H9ClF3N3O3S/c15-9-5-10-11(20-13(22)19-10)6-12(9)25(23,24)21-8-3-1-2-7(4-8)14(16,17)18/h1-6,21H,(H2,19,20,22)
InChIKeyJOLTUOSDUOYFHD-UHFFFAOYSA-N
MW391.76 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide

6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 53092160) has the molecular formula C14H9ClF3N3O3S and a molecular weight of 391.76 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID53092160
Molecular FormulaC14H9ClF3N3O3S
Molecular Weight391.76 g/mol
Exact Mass391.00
IUPAC Name6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C14H9ClF3N3O3S/c15-9-5-10-11(20-13(22)19-10)6-12(9)25(23,24)21-8-3-1-2-7(4-8)14(16,17)18/h1-6,21H,(H2,19,20,22)
InChIKeyJOLTUOSDUOYFHD-UHFFFAOYSA-N
XLogP3.33
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.76
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53008995
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110424614
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
(2-oxo-1,3-dihydrobenzimidazol-5-yl)-[3-(trifluoromethyl)anilino]methanediolate
CID 162128884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 53092160) is 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1.
What is the InChIKey of 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is JOLTUOSDUOYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3S/c15-9-5-10-11(20-13(22)19-10)6-12(9)25(23,24)21-8-3-1-2-7(4-8)14(16,17)18/h1-6,21H,(H2,19,20,22).
What are the key properties of 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 391.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).