2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid

C13H15NO5S — CID 62695392

IUPAC2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H15NO5S/c1-8(15)9-4-6-11(7-5-9)20(18,19)14-12(13(16)17)10-2-3-10/h4-7,10,12,14H,2-3H2,1H3,(H,16,17)
InChIKeyIFOMJXTXTZTHDV-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.03
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid

2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid (PubChem CID 62695392) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
PubChem CID62695392
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H15NO5S/c1-8(15)9-4-6-11(7-5-9)20(18,19)14-12(13(16)17)10-2-3-10/h4-7,10,12,14H,2-3H2,1H3,(H,16,17)
InChIKeyIFOMJXTXTZTHDV-UHFFFAOYSA-N
XLogP1.03
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957
4-(dicyclopropylmethylsulfamoyl)benzoic acid
CID 60715455

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid (CID 62695392) is 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid is CC(=O)c1ccc(S(=O)(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The InChIKey is IFOMJXTXTZTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-8(15)9-4-6-11(7-5-9)20(18,19)14-12(13(16)17)10-2-3-10/h4-7,10,12,14H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid has a molecular weight of 297.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).