5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid

C10H12N2O5S — CID 113402818

IUPAC5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid
SMILESNc1ccc(S(=O)(=O)N2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c11-7-2-3-9(8(6-7)10(13)14)18(15,16)12-4-1-5-17-12/h2-3,6H,1,4-5,11H2,(H,13,14)
InChIKeyFPNXTEWVQGLISA-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.29
Rot. Bonds3

About 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid

5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid (PubChem CID 113402818) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid
PubChem CID113402818
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid
SMILESNc1ccc(S(=O)(=O)N2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c11-7-2-3-9(8(6-7)10(13)14)18(15,16)12-4-1-5-17-12/h2-3,6H,1,4-5,11H2,(H,13,14)
InChIKeyFPNXTEWVQGLISA-UHFFFAOYSA-N
XLogP0.29
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(oxazinan-2-ylsulfonyl)benzoic acid
CID 107090245
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
2-naphthalen-1-ylsulfonyloxazinane
CID 114795467
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016
4-amino-2-thiomorpholin-4-ylsulfonylbenzoic acid
CID 102930859
4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 107406883
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid?
The IUPAC name of 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid (CID 113402818) is 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid.
What is the SMILES notation for 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid?
The canonical SMILES for 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid is Nc1ccc(S(=O)(=O)N2CCCO2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid?
The InChIKey is FPNXTEWVQGLISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c11-7-2-3-9(8(6-7)10(13)14)18(15,16)12-4-1-5-17-12/h2-3,6H,1,4-5,11H2,(H,13,14).
What are the key properties of 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid?
5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid has a molecular weight of 272.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid is sourced from PubChem (CID 113402818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).