6-methylsulfonyl-1H-benzimidazol-2-amine

C8H9N3O2S — CID 12837991

IUPAC6-methylsulfonyl-1H-benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyPLXWDSFSWSALBY-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.55
Rot. Bonds1

About 6-methylsulfonyl-1H-benzimidazol-2-amine

6-methylsulfonyl-1H-benzimidazol-2-amine (PubChem CID 12837991) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 6-methylsulfonyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methylsulfonyl-1H-benzimidazol-2-amine
PubChem CID12837991
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name6-methylsulfonyl-1H-benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyPLXWDSFSWSALBY-UHFFFAOYSA-N
XLogP0.55
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-methylsulfonyl-1H-benzimidazol-2-amine (CID 12837991) is 6-methylsulfonyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methylsulfonyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methylsulfonyl-1H-benzimidazol-2-amine is CS(=O)(=O)c1ccc2nc(N)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-1H-benzimidazol-2-amine?
The InChIKey is PLXWDSFSWSALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-14(12,13)5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 6-methylsulfonyl-1H-benzimidazol-2-amine?
6-methylsulfonyl-1H-benzimidazol-2-amine has a molecular weight of 211.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 12837991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).