2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid

C12H15NO5S — CID 81258396

IUPAC2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1cccc(S(=O)(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H15NO5S/c1-18-9-3-2-4-10(7-9)19(16,17)13-11(12(14)15)8-5-6-8/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,15)
InChIKeySZFWJYXYHWIEDF-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.84
Rot. Bonds6

About 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid

2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid (PubChem CID 81258396) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
PubChem CID81258396
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1cccc(S(=O)(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H15NO5S/c1-18-9-3-2-4-10(7-9)19(16,17)13-11(12(14)15)8-5-6-8/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,15)
InChIKeySZFWJYXYHWIEDF-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid (CID 81258396) is 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid is COc1cccc(S(=O)(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is SZFWJYXYHWIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-9-3-2-4-10(7-9)19(16,17)13-11(12(14)15)8-5-6-8/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid?
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 81258396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).