2-(2-amino-4-chlorophenyl)sulfinylacetamide

C8H9ClN2O2S — CID 81176063

IUPAC2-(2-amino-4-chlorophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C8H9ClN2O2S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyCNNGSKPBVJUZOK-UHFFFAOYSA-N
MW232.69 g/mol
LogP0.52
Rot. Bonds3

About 2-(2-amino-4-chlorophenyl)sulfinylacetamide

2-(2-amino-4-chlorophenyl)sulfinylacetamide (PubChem CID 81176063) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfinylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfinylacetamide
PubChem CID81176063
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-(2-amino-4-chlorophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C8H9ClN2O2S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyCNNGSKPBVJUZOK-UHFFFAOYSA-N
XLogP0.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
5-chloro-2-propylsulfinylaniline
CID 81175936
5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
CID 81175311
5-chloro-2-(3,3-dimethylbutylsulfinyl)aniline
CID 81175330
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
5-chloro-2-(2,2-difluoroethylsulfinyl)aniline
CID 81175816
3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
CID 81175579
5-chloro-2-(2-methylsulfonylethylsulfinyl)aniline
CID 81175460
5-chloro-2-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935211
5-chloro-2-heptylsulfinylaniline
CID 81175948

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinylacetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinylacetamide (CID 81176063) is 2-(2-amino-4-chlorophenyl)sulfinylacetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfinylacetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfinylacetamide is NC(=O)CS(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfinylacetamide?
The InChIKey is CNNGSKPBVJUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfinylacetamide?
2-(2-amino-4-chlorophenyl)sulfinylacetamide has a molecular weight of 232.69 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfinylacetamide is sourced from PubChem (CID 81176063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).