N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide

C5H8N4O2S — CID 79673202

IUPACN-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h2,4H,1,3H2,(H2,6,7,8,9)
InChIKeyUYHYTEJNGRLQQY-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.27
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide

N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide (PubChem CID 79673202) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
PubChem CID79673202
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC NameN-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h2,4H,1,3H2,(H2,6,7,8,9)
InChIKeyUYHYTEJNGRLQQY-UHFFFAOYSA-N
XLogP-0.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide (CID 79673202) is N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
The InChIKey is UYHYTEJNGRLQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h2,4H,1,3H2,(H2,6,7,8,9).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide has a molecular weight of 188.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).