2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid

C8H8N4O4S — CID 150162066

IUPAC2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccn1S(=O)(=O)n1ccnc1
InChIInChI=1S/C8H8N4O4S/c13-8(14)5-7-10-2-4-12(7)17(15,16)11-3-1-9-6-11/h1-4,6H,5H2,(H,13,14)
InChIKeyFHQOXCJEPBRWGW-UHFFFAOYSA-N
MW256.24 g/mol
LogP-0.65
Rot. Bonds4

About 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid

2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid (PubChem CID 150162066) has the molecular formula C8H8N4O4S and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
PubChem CID150162066
Molecular FormulaC8H8N4O4S
Molecular Weight256.24 g/mol
Exact Mass256.03
IUPAC Name2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccn1S(=O)(=O)n1ccnc1
InChIInChI=1S/C8H8N4O4S/c13-8(14)5-7-10-2-4-12(7)17(15,16)11-3-1-9-6-11/h1-4,6H,5H2,(H,13,14)
InChIKeyFHQOXCJEPBRWGW-UHFFFAOYSA-N
XLogP-0.65
TPSA107.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid (CID 150162066) is 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid is O=C(O)Cc1nccn1S(=O)(=O)n1ccnc1.
What is the InChIKey of 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid?
The InChIKey is FHQOXCJEPBRWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S/c13-8(14)5-7-10-2-4-12(7)17(15,16)11-3-1-9-6-11/h1-4,6H,5H2,(H,13,14).
What are the key properties of 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid?
2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid has a molecular weight of 256.24 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid is sourced from PubChem (CID 150162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).