(3-acetylphenyl)sulfamic acid

C8H9NO4S — CID 12629151

IUPAC(3-acetylphenyl)sulfamic acid
SMILESCC(=O)c1cccc(NS(=O)(=O)O)c1
InChIInChI=1S/C8H9NO4S/c1-6(10)7-3-2-4-8(5-7)9-14(11,12)13/h2-5,9H,1H3,(H,11,12,13)
InChIKeyMXEHNIKAPJTVHH-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.10
Rot. Bonds3

About (3-acetylphenyl)sulfamic acid

(3-acetylphenyl)sulfamic acid (PubChem CID 12629151) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is (3-acetylphenyl)sulfamic acid.

Molecular Properties

Compound Name(3-acetylphenyl)sulfamic acid
PubChem CID12629151
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name(3-acetylphenyl)sulfamic acid
SMILESCC(=O)c1cccc(NS(=O)(=O)O)c1
InChIInChI=1S/C8H9NO4S/c1-6(10)7-3-2-4-8(5-7)9-14(11,12)13/h2-5,9H,1H3,(H,11,12,13)
InChIKeyMXEHNIKAPJTVHH-UHFFFAOYSA-N
XLogP1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
methyl 2-[(3-acetylphenyl)sulfamoyl]propanoate
CID 61458645
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl)sulfamic acid?
The IUPAC name of (3-acetylphenyl)sulfamic acid (CID 12629151) is (3-acetylphenyl)sulfamic acid.
What is the SMILES notation for (3-acetylphenyl)sulfamic acid?
The canonical SMILES for (3-acetylphenyl)sulfamic acid is CC(=O)c1cccc(NS(=O)(=O)O)c1.
What is the InChIKey of (3-acetylphenyl)sulfamic acid?
The InChIKey is MXEHNIKAPJTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-6(10)7-3-2-4-8(5-7)9-14(11,12)13/h2-5,9H,1H3,(H,11,12,13).
What are the key properties of (3-acetylphenyl)sulfamic acid?
(3-acetylphenyl)sulfamic acid has a molecular weight of 215.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl)sulfamic acid is sourced from PubChem (CID 12629151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).