N-(4-aminophenyl)-2-methylsulfonylacetamide

C9H12N2O3S — CID 61025052

IUPACN-(4-aminophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyZGEXUHPAGRNSKY-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.25
Rot. Bonds3

About N-(4-aminophenyl)-2-methylsulfonylacetamide

N-(4-aminophenyl)-2-methylsulfonylacetamide (PubChem CID 61025052) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methylsulfonylacetamide
PubChem CID61025052
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(4-aminophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyZGEXUHPAGRNSKY-UHFFFAOYSA-N
XLogP0.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 60693118
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N-[4-(2-chloroethyl)phenyl]-2-methylsulfonylacetamide
CID 114299169
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
CID 77015312
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
CID 65429192
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-methylsulfonylacetamide (CID 61025052) is N-(4-aminophenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methylsulfonylacetamide?
The InChIKey is ZGEXUHPAGRNSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15(13,14)6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of N-(4-aminophenyl)-2-methylsulfonylacetamide?
N-(4-aminophenyl)-2-methylsulfonylacetamide has a molecular weight of 228.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61025052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).