1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

C18H20FN3O3S — CID 17252073

IUPAC1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C18H20FN3O3S/c1-4-21-16-9-8-14(11-17(16)22(5-2)18(21)23)26(24,25)20-13-7-6-12(3)15(19)10-13/h6-11,20H,4-5H2,1-3H3
InChIKeyXFUDNGPYTOQQQN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.09
Rot. Bonds5

About 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 17252073) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID17252073
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C18H20FN3O3S/c1-4-21-16-9-8-14(11-17(16)22(5-2)18(21)23)26(24,25)20-13-7-6-12(3)15(19)10-13/h6-11,20H,4-5H2,1-3H3
InChIKeyXFUDNGPYTOQQQN-UHFFFAOYSA-N
XLogP3.09
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 50796603
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 17252073) is 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)ccc21.
What is the InChIKey of 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is XFUDNGPYTOQQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-4-21-16-9-8-14(11-17(16)22(5-2)18(21)23)26(24,25)20-13-7-6-12(3)15(19)10-13/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 377.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 17252073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).