2-imidazol-1-ylethanesulfonamide

C5H9N3O2S — CID 115644278

IUPAC2-imidazol-1-ylethanesulfonamide
SMILESNS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C5H9N3O2S/c6-11(9,10)4-3-8-2-1-7-5-8/h1-2,5H,3-4H2,(H2,6,9,10)
InChIKeyGRUNOPBLCWYODU-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.83
Rot. Bonds3

About 2-imidazol-1-ylethanesulfonamide

2-imidazol-1-ylethanesulfonamide (PubChem CID 115644278) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-imidazol-1-ylethanesulfonamide.

Molecular Properties

Compound Name2-imidazol-1-ylethanesulfonamide
PubChem CID115644278
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name2-imidazol-1-ylethanesulfonamide
SMILESNS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C5H9N3O2S/c6-11(9,10)4-3-8-2-1-7-5-8/h1-2,5H,3-4H2,(H2,6,9,10)
InChIKeyGRUNOPBLCWYODU-UHFFFAOYSA-N
XLogP-0.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethanesulfonamide?
The IUPAC name of 2-imidazol-1-ylethanesulfonamide (CID 115644278) is 2-imidazol-1-ylethanesulfonamide.
What is the SMILES notation for 2-imidazol-1-ylethanesulfonamide?
The canonical SMILES for 2-imidazol-1-ylethanesulfonamide is NS(=O)(=O)CCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethanesulfonamide?
The InChIKey is GRUNOPBLCWYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c6-11(9,10)4-3-8-2-1-7-5-8/h1-2,5H,3-4H2,(H2,6,9,10).
What are the key properties of 2-imidazol-1-ylethanesulfonamide?
2-imidazol-1-ylethanesulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethanesulfonamide is sourced from PubChem (CID 115644278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).