N-(5-amino-2-chlorophenyl)sulfonylacetamide

C8H9ClN2O3S — CID 90103999

IUPACN-(5-amino-2-chlorophenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-5(12)11-15(13,14)8-4-6(10)2-3-7(8)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeySTQNMPGSKYSZER-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.75
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)sulfonylacetamide

N-(5-amino-2-chlorophenyl)sulfonylacetamide (PubChem CID 90103999) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)sulfonylacetamide
PubChem CID90103999
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC NameN-(5-amino-2-chlorophenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-5(12)11-15(13,14)8-4-6(10)2-3-7(8)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeySTQNMPGSKYSZER-UHFFFAOYSA-N
XLogP0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
5-amino-2-chlorobenzenesulfonyl fluoride
CID 54277891
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)sulfonylacetamide (CID 90103999) is N-(5-amino-2-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)sulfonylacetamide is CC(=O)NS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)sulfonylacetamide?
The InChIKey is STQNMPGSKYSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-5(12)11-15(13,14)8-4-6(10)2-3-7(8)9/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of N-(5-amino-2-chlorophenyl)sulfonylacetamide?
N-(5-amino-2-chlorophenyl)sulfonylacetamide has a molecular weight of 248.69 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 90103999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).