4-prop-2-enoxybenzenesulfonamide

C9H11NO3S — CID 18668331

IUPAC4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKeyOYORSBMGLVESSS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.90
Rot. Bonds4

About 4-prop-2-enoxybenzenesulfonamide

4-prop-2-enoxybenzenesulfonamide (PubChem CID 18668331) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound Name4-prop-2-enoxybenzenesulfonamide
PubChem CID18668331
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKeyOYORSBMGLVESSS-UHFFFAOYSA-N
XLogP0.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p,p'-Oxybis(benzenesulfonyl hydrazide)
CID 6649
4-Methoxybenzenesulfonamide
CID 70789
Bis(4-chlorosulfonylphenyl) ether
CID 8484
2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
4-Propoxybenzenesulfonamide
CID 21978067
2-(2-Chloroethoxy)benzene-1-sulfonamide
CID 13729454
4-Ethoxybenzenesulfonamide
CID 3724005
4-Ethoxybenzene-1-sulfonohydrazide
CID 2063483
4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
4-Methoxybenzenesulfonyl chloride
CID 7401
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
Ethyl 2-(4-sulfamoylphenoxy)propanoate
CID 2725665

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of 4-prop-2-enoxybenzenesulfonamide (CID 18668331) is 4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for 4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for 4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-prop-2-enoxybenzenesulfonamide?
The InChIKey is OYORSBMGLVESSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12).
What are the key properties of 4-prop-2-enoxybenzenesulfonamide?
4-prop-2-enoxybenzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 18668331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).