N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C19H20FN3O4S — CID 19259616

IUPACN-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCN(CC(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O4S/c1-4-23(12-18(24)13-5-7-14(20)8-6-13)28(26,27)15-9-10-16-17(11-15)22(3)19(25)21(16)2/h5-11H,4,12H2,1-3H3
InChIKeyIDIYFEOYWYIBRZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.91
Rot. Bonds6

About N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 19259616) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID19259616
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCN(CC(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O4S/c1-4-23(12-18(24)13-5-7-14(20)8-6-13)28(26,27)15-9-10-16-17(11-15)22(3)19(25)21(16)2/h5-11H,4,12H2,1-3H3
InChIKeyIDIYFEOYWYIBRZ-UHFFFAOYSA-N
XLogP1.91
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259620
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(4-methylphenyl)acetamide
CID 19259500
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(3-nitrophenyl)acetamide
CID 19259510
N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259607
N-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259612
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
N,N-diethyl-3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 2082373
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-ethyl-4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 7263424
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N,N-diethyl-4-[(5S)-7-fluoro-5-(4-fluorophenyl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl]benzenesulfonamide
CID 2160167

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 19259616) is N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is CCN(CC(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is IDIYFEOYWYIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-4-23(12-18(24)13-5-7-14(20)8-6-13)28(26,27)15-9-10-16-17(11-15)22(3)19(25)21(16)2/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 405.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 19259616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).