1H-imidazole-5-sulfonamide

C3H5N3O2S — CID 22747796

IUPAC1H-imidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)
InChIKeyJAURKIVAGLWIBP-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.94
Rot. Bonds1

About 1H-imidazole-5-sulfonamide

1H-imidazole-5-sulfonamide (PubChem CID 22747796) has the molecular formula C3H5N3O2S and a molecular weight of 147.16 g/mol. Its IUPAC name is 1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name1H-imidazole-5-sulfonamide
PubChem CID22747796
Molecular FormulaC3H5N3O2S
Molecular Weight147.16 g/mol
Exact Mass147.01
IUPAC Name1H-imidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)
InChIKeyJAURKIVAGLWIBP-UHFFFAOYSA-N
XLogP-0.94
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-5-sulfonamide?
The IUPAC name of 1H-imidazole-5-sulfonamide (CID 22747796) is 1H-imidazole-5-sulfonamide.
What is the SMILES notation for 1H-imidazole-5-sulfonamide?
The canonical SMILES for 1H-imidazole-5-sulfonamide is NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazole-5-sulfonamide?
The InChIKey is JAURKIVAGLWIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8).
What are the key properties of 1H-imidazole-5-sulfonamide?
1H-imidazole-5-sulfonamide has a molecular weight of 147.16 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-5-sulfonamide is sourced from PubChem (CID 22747796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).