3-prop-2-enoxybenzenesulfonamide

C9H11NO3S — CID 71302797

IUPAC3-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2,(H2,10,11,12)
InChIKeyCCCWVBSCOMNSOH-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.90
Rot. Bonds4

About 3-prop-2-enoxybenzenesulfonamide

3-prop-2-enoxybenzenesulfonamide (PubChem CID 71302797) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound Name3-prop-2-enoxybenzenesulfonamide
PubChem CID71302797
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2,(H2,10,11,12)
InChIKeyCCCWVBSCOMNSOH-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

3-prop-2-enoxybenzenesulfonyl chloride
CID 61374246
3-octadecoxybenzenesulfonamide
CID 142668832
3-methoxybenzenesulfonamide
CID 14763060
CID 68601834
CID 68601834
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
benzene-1,3-disulfonamide
CID 3090044
(3-prop-2-enoxyphenyl)azanium
CID 59822882
ethane;3-prop-2-enoxyaniline
CID 143673688
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxybenzenesulfonamide?
The IUPAC name of 3-prop-2-enoxybenzenesulfonamide (CID 71302797) is 3-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for 3-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for 3-prop-2-enoxybenzenesulfonamide is C=CCOc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-prop-2-enoxybenzenesulfonamide?
The InChIKey is CCCWVBSCOMNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2,(H2,10,11,12).
What are the key properties of 3-prop-2-enoxybenzenesulfonamide?
3-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 3-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 71302797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).