sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide

C14H13ClN3NaO2S — CID 87965520

IUPACsodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H7ClNO2S.C7H6N2.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;1-2-4-7-6(3-1)8-5-9-7;/h2-5H,1H3;1-5H,(H,8,9);/q-1;;+1
InChIKeyNUIZWEDXEFTDLU-UHFFFAOYSA-N
MW345.79 g/mol
LogP0.78
Rot. Bonds2

About sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide

sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide (PubChem CID 87965520) has the molecular formula C14H13ClN3NaO2S and a molecular weight of 345.79 g/mol. Its IUPAC name is sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide
PubChem CID87965520
Molecular FormulaC14H13ClN3NaO2S
Molecular Weight345.79 g/mol
Exact Mass345.03
IUPAC Namesodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H7ClNO2S.C7H6N2.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;1-2-4-7-6(3-1)8-5-9-7;/h2-5H,1H3;1-5H,(H,8,9);/q-1;;+1
InChIKeyNUIZWEDXEFTDLU-UHFFFAOYSA-N
XLogP0.78
TPSA76.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide?
The IUPAC name of sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide (CID 87965520) is sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1ccc2[nH]cnc2c1.
What is the InChIKey of sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide?
The InChIKey is NUIZWEDXEFTDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO2S.C7H6N2.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;1-2-4-7-6(3-1)8-5-9-7;/h2-5H,1H3;1-5H,(H,8,9);/q-1;;+1.
What are the key properties of sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide?
sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide has a molecular weight of 345.79 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1H-benzimidazole;chloro-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 87965520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).