4-prop-2-ynoxybenzenesulfonamide

C9H9NO3S — CID 82911195

IUPAC4-prop-2-ynoxybenzenesulfonamide
SMILESC#CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
InChIKeyBWZTYHANPJYDDW-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.35
Rot. Bonds3

About 4-prop-2-ynoxybenzenesulfonamide

4-prop-2-ynoxybenzenesulfonamide (PubChem CID 82911195) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-prop-2-ynoxybenzenesulfonamide.

Molecular Properties

Compound Name4-prop-2-ynoxybenzenesulfonamide
PubChem CID82911195
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name4-prop-2-ynoxybenzenesulfonamide
SMILESC#CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
InChIKeyBWZTYHANPJYDDW-UHFFFAOYSA-N
XLogP0.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-prop-2-ynoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p,p'-Oxybis(benzenesulfonyl hydrazide)
CID 6649
4-Methoxybenzenesulfonamide
CID 70789
2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
4-Propoxybenzenesulfonamide
CID 21978067
2-(2-Chloroethoxy)benzene-1-sulfonamide
CID 13729454
4-Butoxybenzenesulfonamide
CID 2049187
3-{[4-(But-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
CID 23627203
4-Ethoxybenzenesulfonamide
CID 3724005
4-Sulfophenylmethallyl ether
CID 23677970
4-Ethoxybenzene-1-sulfonohydrazide
CID 2063483
4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
4-Methoxybenzenesulfonyl chloride
CID 7401

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynoxybenzenesulfonamide?
The IUPAC name of 4-prop-2-ynoxybenzenesulfonamide (CID 82911195) is 4-prop-2-ynoxybenzenesulfonamide.
What is the SMILES notation for 4-prop-2-ynoxybenzenesulfonamide?
The canonical SMILES for 4-prop-2-ynoxybenzenesulfonamide is C#CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-prop-2-ynoxybenzenesulfonamide?
The InChIKey is BWZTYHANPJYDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12).
What are the key properties of 4-prop-2-ynoxybenzenesulfonamide?
4-prop-2-ynoxybenzenesulfonamide has a molecular weight of 211.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxybenzenesulfonamide is sourced from PubChem (CID 82911195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).