4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide

C16H14N4O4S — CID 68974180

IUPAC4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)c1
InChIInChI=1S/C16H14N4O4S/c1-25(23,24)10-5-2-4-9(8-10)18-16(22)11-6-3-7-12-13(11)20-15(19-12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyFSZCONCRFXNALS-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.32
Rot. Bonds4

About 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide

4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide (PubChem CID 68974180) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
PubChem CID68974180
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)c1
InChIInChI=1S/C16H14N4O4S/c1-25(23,24)10-5-2-4-9(8-10)18-16(22)11-6-3-7-12-13(11)20-15(19-12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyFSZCONCRFXNALS-UHFFFAOYSA-N
XLogP1.32
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide (CID 68974180) is 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)c1.
What is the InChIKey of 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide?
The InChIKey is FSZCONCRFXNALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-25(23,24)10-5-2-4-9(8-10)18-16(22)11-6-3-7-12-13(11)20-15(19-12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,22)(H,19,20).
What are the key properties of 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide?
4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide is sourced from PubChem (CID 68974180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).