4-(prop-2-enylamino)pyridine-3-sulfonamide

C8H11N3O2S — CID 25044690

IUPAC4-(prop-2-enylamino)pyridine-3-sulfonamide
SMILESC=CCNc1ccncc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
InChIKeyHYUSVYAJBKXAKB-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.33
Rot. Bonds4

About 4-(prop-2-enylamino)pyridine-3-sulfonamide

4-(prop-2-enylamino)pyridine-3-sulfonamide (PubChem CID 25044690) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(prop-2-enylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(prop-2-enylamino)pyridine-3-sulfonamide
PubChem CID25044690
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-(prop-2-enylamino)pyridine-3-sulfonamide
SMILESC=CCNc1ccncc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
InChIKeyHYUSVYAJBKXAKB-UHFFFAOYSA-N
XLogP0.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.33
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 4-(prop-2-enylamino)pyridine-3-sulfonamide?
The IUPAC name of 4-(prop-2-enylamino)pyridine-3-sulfonamide (CID 25044690) is 4-(prop-2-enylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(prop-2-enylamino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(prop-2-enylamino)pyridine-3-sulfonamide is C=CCNc1ccncc1S(N)(=O)=O.
What is the InChIKey of 4-(prop-2-enylamino)pyridine-3-sulfonamide?
The InChIKey is HYUSVYAJBKXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13).
What are the key properties of 4-(prop-2-enylamino)pyridine-3-sulfonamide?
4-(prop-2-enylamino)pyridine-3-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 25044690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).