N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide

C19H23N3O3S — CID 50796603

IUPACN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21
InChIInChI=1S/C19H23N3O3S/c1-5-21-16-10-9-15(12-17(16)22(6-2)19(21)23)20-26(24,25)18-11-13(3)7-8-14(18)4/h7-12,20H,5-6H2,1-4H3
InChIKeyGIUAZJPTIMHCNB-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.26
Rot. Bonds5

About N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide

N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 50796603) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID50796603
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21
InChIInChI=1S/C19H23N3O3S/c1-5-21-16-10-9-15(12-17(16)22(6-2)19(21)23)20-26(24,25)18-11-13(3)7-8-14(18)4/h7-12,20H,5-6H2,1-4H3
InChIKeyGIUAZJPTIMHCNB-UHFFFAOYSA-N
XLogP3.26
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.26
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
N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methyl-5-nitrobenzenesulfonamide
CID 100542346
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide (CID 50796603) is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide is CCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is GIUAZJPTIMHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-21-16-10-9-15(12-17(16)22(6-2)19(21)23)20-26(24,25)18-11-13(3)7-8-14(18)4/h7-12,20H,5-6H2,1-4H3.
What are the key properties of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide?
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 50796603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).