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

C17H17F2N3O3S — CID 17252079

IUPACN-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C17H17F2N3O3S/c1-3-21-15-8-6-12(10-16(15)22(4-2)17(21)23)26(24,25)20-11-5-7-13(18)14(19)9-11/h5-10,20H,3-4H2,1-2H3
InChIKeyLMAZHLZXFNJMCL-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.92
Rot. Bonds5

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

N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 17252079) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID17252079
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC NameN-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C17H17F2N3O3S/c1-3-21-15-8-6-12(10-16(15)22(4-2)17(21)23)26(24,25)20-11-5-7-13(18)14(19)9-11/h5-10,20H,3-4H2,1-2H3
InChIKeyLMAZHLZXFNJMCL-UHFFFAOYSA-N
XLogP2.92
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252073
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252071
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 50796603
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide (CID 17252079) is N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is LMAZHLZXFNJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c1-3-21-15-8-6-12(10-16(15)22(4-2)17(21)23)26(24,25)20-11-5-7-13(18)14(19)9-11/h5-10,20H,3-4H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 381.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 17252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).