2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

C17H16N4O5S — CID 10452856

IUPAC2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CO)cc3)nc12
InChIInChI=1S/C17H16N4O5S/c18-17(24)12-2-1-3-13-16(12)21-14(20-13)9-27(25,26)11-6-4-10(5-7-11)19-15(23)8-22/h1-7,22H,8-9H2,(H2,18,24)(H,19,23)(H,20,21)
InChIKeyYAMUMIONOMKJHP-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.57
Rot. Bonds6

About 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10452856) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
PubChem CID10452856
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CO)cc3)nc12
InChIInChI=1S/C17H16N4O5S/c18-17(24)12-2-1-3-13-16(12)21-14(20-13)9-27(25,26)11-6-4-10(5-7-11)19-15(23)8-22/h1-7,22H,8-9H2,(H2,18,24)(H,19,23)(H,20,21)
InChIKeyYAMUMIONOMKJHP-UHFFFAOYSA-N
XLogP0.57
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide 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

2-formyl-1H-benzimidazole-4-carboxamide
CID 131216974
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68974180
2-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 10361481
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane
CID 142501212
2-[(4-carbamoylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46214081
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (CID 10452856) is 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)CO)cc3)nc12.
What is the InChIKey of 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YAMUMIONOMKJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c18-17(24)12-2-1-3-13-16(12)21-14(20-13)9-27(25,26)11-6-4-10(5-7-11)19-15(23)8-22/h1-7,22H,8-9H2,(H2,18,24)(H,19,23)(H,20,21).
What are the key properties of 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10452856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).