N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide

C17H19N3O3S — CID 110760458

IUPACN-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H19N3O3S/c1-4-23-17-8-6-5-7-14(17)19-24(21,22)13-9-10-16-15(11-13)18-12(2)20(16)3/h5-11,19H,4H2,1-3H3
InChIKeyHBJFOSJIEBLBCQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.08
Rot. Bonds5

About N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide

N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760458) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760458
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H19N3O3S/c1-4-23-17-8-6-5-7-14(17)19-24(21,22)13-9-10-16-15(11-13)18-12(2)20(16)3/h5-11,19H,4H2,1-3H3
InChIKeyHBJFOSJIEBLBCQ-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 56690501

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide (CID 110760458) is N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is HBJFOSJIEBLBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-23-17-8-6-5-7-14(17)19-24(21,22)13-9-10-16-15(11-13)18-12(2)20(16)3/h5-11,19H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).