[phenyl(sulfamoyl)methyl] acetate

C9H11NO4S — CID 118097051

IUPAC[phenyl(sulfamoyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-7(11)14-9(15(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13)
InChIKeyNGFYMXHZFSVTGM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.54
Rot. Bonds3

About [phenyl(sulfamoyl)methyl] acetate

[phenyl(sulfamoyl)methyl] acetate (PubChem CID 118097051) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is [phenyl(sulfamoyl)methyl] acetate.

Molecular Properties

Compound Name[phenyl(sulfamoyl)methyl] acetate
PubChem CID118097051
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name[phenyl(sulfamoyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-7(11)14-9(15(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13)
InChIKeyNGFYMXHZFSVTGM-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzhydryl acetate;hydrazine
CID 122610283
2-oxo-1-phenylpropane-1-sulfonamide
CID 70874810
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl (2R,3S)-2-acetyloxy-3-amino-3-phenylpropanoate
CID 66701707
(2-bromo-1,2-diphenylethyl) acetate
CID 13129278
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934

Frequently Asked Questions

What is the IUPAC name of [phenyl(sulfamoyl)methyl] acetate?
The IUPAC name of [phenyl(sulfamoyl)methyl] acetate (CID 118097051) is [phenyl(sulfamoyl)methyl] acetate.
What is the SMILES notation for [phenyl(sulfamoyl)methyl] acetate?
The canonical SMILES for [phenyl(sulfamoyl)methyl] acetate is CC(=O)OC(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of [phenyl(sulfamoyl)methyl] acetate?
The InChIKey is NGFYMXHZFSVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-7(11)14-9(15(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13).
What are the key properties of [phenyl(sulfamoyl)methyl] acetate?
[phenyl(sulfamoyl)methyl] acetate has a molecular weight of 229.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(sulfamoyl)methyl] acetate is sourced from PubChem (CID 118097051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).