N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide

C14H14N2O3S — CID 43444150

IUPACN-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
SMILESNc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c15-11-6-8-12(9-7-11)16-14(17)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10,15H2,(H,16,17)
InChIKeyPVIXCSRYTPPTCG-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.68
Rot. Bonds4

About N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide

N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide (PubChem CID 43444150) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
PubChem CID43444150
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
SMILESNc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c15-11-6-8-12(9-7-11)16-14(17)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10,15H2,(H,16,17)
InChIKeyPVIXCSRYTPPTCG-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.68
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-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4596496
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
CID 81193245
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
CID 3978190

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide (CID 43444150) is N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide is Nc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide?
The InChIKey is PVIXCSRYTPPTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-11-6-8-12(9-7-11)16-14(17)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10,15H2,(H,16,17).
What are the key properties of N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide?
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide is sourced from PubChem (CID 43444150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).