N-(4-aminophenyl)-N-methylsulfonylacetamide

C9H12N2O3S — CID 71399736

IUPACN-(4-aminophenyl)-N-methylsulfonylacetamide
SMILESCC(=O)N(c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-7(12)11(15(2,13)14)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
InChIKeyIVGUQTVZTKTHGJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.58
Rot. Bonds2

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

N-(4-aminophenyl)-N-methylsulfonylacetamide (PubChem CID 71399736) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methylsulfonylacetamide
PubChem CID71399736
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(4-aminophenyl)-N-methylsulfonylacetamide
SMILESCC(=O)N(c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-7(12)11(15(2,13)14)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
InChIKeyIVGUQTVZTKTHGJ-UHFFFAOYSA-N
XLogP0.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
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

1-methylsulfonyl-1-phenylurea
CID 67458693
N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
CID 18005661
N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide
CID 140616487
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
CID 100618000
N-acetyl-N-(6-aminonaphthalen-2-yl)acetamide
CID 59942778
1-amino-4-(4-amino-N-sulfamoylanilino)benzene
CID 54239059
methanesulfonic acid;4-methylaniline
CID 175567140
acetamide;4-aminobenzenesulfonamide
CID 175093651
N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
CID 70444686
1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea
CID 5010172
N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 6662
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methylsulfonylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methylsulfonylacetamide (CID 71399736) is N-(4-aminophenyl)-N-methylsulfonylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methylsulfonylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methylsulfonylacetamide is CC(=O)N(c1ccc(N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-aminophenyl)-N-methylsulfonylacetamide?
The InChIKey is IVGUQTVZTKTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7(12)11(15(2,13)14)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methylsulfonylacetamide?
N-(4-aminophenyl)-N-methylsulfonylacetamide has a molecular weight of 228.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 71399736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).