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

C17H16F3N3O4S — CID 8582589

IUPAC2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16F3N3O4S/c1-2-7-27-15-6-3-10(17(18,19)20)8-14(15)23-28(25,26)11-4-5-12-13(9-11)22-16(24)21-12/h3-6,8-9,23H,2,7H2,1H3,(H2,21,22,24)
InChIKeyLHNXQCVZAGPBGF-UHFFFAOYSA-N
MW415.39 g/mol
LogP3.46
Rot. Bonds6

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

2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 8582589) has the molecular formula C17H16F3N3O4S and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID8582589
Molecular FormulaC17H16F3N3O4S
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC Name2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16F3N3O4S/c1-2-7-27-15-6-3-10(17(18,19)20)8-14(15)23-28(25,26)11-4-5-12-13(9-11)22-16(24)21-12/h3-6,8-9,23H,2,7H2,1H3,(H2,21,22,24)
InChIKeyLHNXQCVZAGPBGF-UHFFFAOYSA-N
XLogP3.46
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110424614
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602669
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55811519
N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 8582589) is 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is LHNXQCVZAGPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4S/c1-2-7-27-15-6-3-10(17(18,19)20)8-14(15)23-28(25,26)11-4-5-12-13(9-11)22-16(24)21-12/h3-6,8-9,23H,2,7H2,1H3,(H2,21,22,24).
What are the key properties of 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 415.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 8582589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).