4-(prop-2-enylamino)benzenesulfonamide

C9H12N2O2S — CID 62141270

IUPAC4-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
InChIKeyVAJTTWBJPRHZLF-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.93
Rot. Bonds4

About 4-(prop-2-enylamino)benzenesulfonamide

4-(prop-2-enylamino)benzenesulfonamide (PubChem CID 62141270) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(prop-2-enylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(prop-2-enylamino)benzenesulfonamide
PubChem CID62141270
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)
InChIKeyVAJTTWBJPRHZLF-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)benzenesulfonamide?
The IUPAC name of 4-(prop-2-enylamino)benzenesulfonamide (CID 62141270) is 4-(prop-2-enylamino)benzenesulfonamide.
What is the SMILES notation for 4-(prop-2-enylamino)benzenesulfonamide?
The canonical SMILES for 4-(prop-2-enylamino)benzenesulfonamide is C=CCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(prop-2-enylamino)benzenesulfonamide?
The InChIKey is VAJTTWBJPRHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13).
What are the key properties of 4-(prop-2-enylamino)benzenesulfonamide?
4-(prop-2-enylamino)benzenesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)benzenesulfonamide is sourced from PubChem (CID 62141270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).