(4-ethoxyphenyl)sulfonylformamide

C9H11NO4S — CID 117038031

IUPAC(4-ethoxyphenyl)sulfonylformamide
SMILESCCOc1ccc(S(=O)(=O)C(N)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-2-14-7-3-5-8(6-4-7)15(12,13)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyPNTFPVSZIJUZPH-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.94
Rot. Bonds3

About (4-ethoxyphenyl)sulfonylformamide

(4-ethoxyphenyl)sulfonylformamide (PubChem CID 117038031) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is (4-ethoxyphenyl)sulfonylformamide.

Molecular Properties

Compound Name(4-ethoxyphenyl)sulfonylformamide
PubChem CID117038031
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name(4-ethoxyphenyl)sulfonylformamide
SMILESCCOc1ccc(S(=O)(=O)C(N)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-2-14-7-3-5-8(6-4-7)15(12,13)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyPNTFPVSZIJUZPH-UHFFFAOYSA-N
XLogP0.94
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (4-ethoxyphenyl)sulfonylformate
CID 117037047
4-ethoxybenzenesulfonic acid
CID 7013020
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
4-(4-ethoxyphenyl)benzamide
CID 163572533

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)sulfonylformamide?
The IUPAC name of (4-ethoxyphenyl)sulfonylformamide (CID 117038031) is (4-ethoxyphenyl)sulfonylformamide.
What is the SMILES notation for (4-ethoxyphenyl)sulfonylformamide?
The canonical SMILES for (4-ethoxyphenyl)sulfonylformamide is CCOc1ccc(S(=O)(=O)C(N)=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)sulfonylformamide?
The InChIKey is PNTFPVSZIJUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-14-7-3-5-8(6-4-7)15(12,13)9(10)11/h3-6H,2H2,1H3,(H2,10,11).
What are the key properties of (4-ethoxyphenyl)sulfonylformamide?
(4-ethoxyphenyl)sulfonylformamide has a molecular weight of 229.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)sulfonylformamide is sourced from PubChem (CID 117038031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).