N-(4-carbamoylsulfonylphenyl)acetamide

C9H10N2O4S — CID 117038027

IUPACN-(4-carbamoylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(N)=O)cc1
InChIInChI=1S/C9H10N2O4S/c1-6(12)11-7-2-4-8(5-3-7)16(14,15)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyQJYUNWNJKCIRGX-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.50
Rot. Bonds2

About N-(4-carbamoylsulfonylphenyl)acetamide

N-(4-carbamoylsulfonylphenyl)acetamide (PubChem CID 117038027) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-(4-carbamoylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamoylsulfonylphenyl)acetamide
PubChem CID117038027
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC NameN-(4-carbamoylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(N)=O)cc1
InChIInChI=1S/C9H10N2O4S/c1-6(12)11-7-2-4-8(5-3-7)16(14,15)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyQJYUNWNJKCIRGX-UHFFFAOYSA-N
XLogP0.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
CID 19931654
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
CID 61120241
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
(4-acetamidophenyl)sulfonylimino-methylazanium
CID 145222283

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-carbamoylsulfonylphenyl)acetamide (CID 117038027) is N-(4-carbamoylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-carbamoylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-carbamoylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylsulfonylphenyl)acetamide?
The InChIKey is QJYUNWNJKCIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-6(12)11-7-2-4-8(5-3-7)16(14,15)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(4-carbamoylsulfonylphenyl)acetamide?
N-(4-carbamoylsulfonylphenyl)acetamide has a molecular weight of 242.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylsulfonylphenyl)acetamide is sourced from PubChem (CID 117038027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).