(4-methoxyphenyl)-prop-2-enylsulfonylazanide

C10H12NO3S- — CID 4742693

IUPAC(4-methoxyphenyl)-prop-2-enylsulfonylazanide
SMILESC=CCS(=O)(=O)[N-]c1ccc(OC)cc1
InChIInChI=1S/C10H12NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3/q-1
InChIKeyOQMDHYBCGMWWST-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.22
Rot. Bonds5

About (4-methoxyphenyl)-prop-2-enylsulfonylazanide

(4-methoxyphenyl)-prop-2-enylsulfonylazanide (PubChem CID 4742693) has the molecular formula C10H12NO3S- and a molecular weight of 226.28 g/mol. Its IUPAC name is (4-methoxyphenyl)-prop-2-enylsulfonylazanide.

Molecular Properties

Compound Name(4-methoxyphenyl)-prop-2-enylsulfonylazanide
PubChem CID4742693
Molecular FormulaC10H12NO3S-
Molecular Weight226.28 g/mol
Exact Mass226.05
IUPAC Name(4-methoxyphenyl)-prop-2-enylsulfonylazanide
SMILESC=CCS(=O)(=O)[N-]c1ccc(OC)cc1
InChIInChI=1S/C10H12NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3/q-1
InChIKeyOQMDHYBCGMWWST-UHFFFAOYSA-N
XLogP2.22
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
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-methoxyphenyl)-prop-2-enylsulfonylazanide?
The IUPAC name of (4-methoxyphenyl)-prop-2-enylsulfonylazanide (CID 4742693) is (4-methoxyphenyl)-prop-2-enylsulfonylazanide.
What is the SMILES notation for (4-methoxyphenyl)-prop-2-enylsulfonylazanide?
The canonical SMILES for (4-methoxyphenyl)-prop-2-enylsulfonylazanide is C=CCS(=O)(=O)[N-]c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)-prop-2-enylsulfonylazanide?
The InChIKey is OQMDHYBCGMWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3/q-1.
What are the key properties of (4-methoxyphenyl)-prop-2-enylsulfonylazanide?
(4-methoxyphenyl)-prop-2-enylsulfonylazanide has a molecular weight of 226.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-prop-2-enylsulfonylazanide is sourced from PubChem (CID 4742693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).