1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

C17H19N3O3S — CID 17252069

IUPAC1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-3-19-15-11-10-14(12-16(15)20(4-2)17(19)21)24(22,23)18-13-8-6-5-7-9-13/h5-12,18H,3-4H2,1-2H3
InChIKeySUQDTUZTQFCEQW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.64
Rot. Bonds5

About 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (PubChem CID 17252069) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
PubChem CID17252069
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O3S/c1-3-19-15-11-10-14(12-16(15)20(4-2)17(19)21)24(22,23)18-13-8-6-5-7-9-13/h5-12,18H,3-4H2,1-2H3
InChIKeySUQDTUZTQFCEQW-UHFFFAOYSA-N
XLogP2.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252071
1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252073
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 50796603
N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100722674
N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2554557
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (CID 17252069) is 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The InChIKey is SUQDTUZTQFCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-19-15-11-10-14(12-16(15)20(4-2)17(19)21)24(22,23)18-13-8-6-5-7-9-13/h5-12,18H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 17252069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).