N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide

C17H19N3O3S — CID 23936708

IUPACN-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-20(10-11-23-2)24(21,22)14-8-9-15-16(12-14)19-17(18-15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyNCGTYIPBCZFLGZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.50
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 23936708) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID23936708
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-20(10-11-23-2)24(21,22)14-8-9-15-16(12-14)19-17(18-15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyNCGTYIPBCZFLGZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615
N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552086
N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 22552039
2-(3-chloroquinoxalin-2-yl)-N-(2-methoxyethyl)-N-methyl-1H-indole-5-sulfonamide
CID 58584803
sulfino 2-phenyl-3H-benzimidazole-5-sulfonate
CID 137408588
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 23936708) is N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide is COCCN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is NCGTYIPBCZFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-20(10-11-23-2)24(21,22)14-8-9-15-16(12-14)19-17(18-15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 23936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).