2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid

C13H16N2O6S — CID 82155470

IUPAC2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)O
InChIInChI=1S/C13H16N2O6S/c1-2-3-4-10(12(16)17)15-22(19,20)8-5-6-9-11(7-8)21-13(18)14-9/h5-7,10,15H,2-4H2,1H3,(H,14,18)(H,16,17)
InChIKeyCEYXAHPCBHZIDU-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.04
Rot. Bonds7

About 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid

2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid (PubChem CID 82155470) has the molecular formula C13H16N2O6S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
PubChem CID82155470
Molecular FormulaC13H16N2O6S
Molecular Weight328.35 g/mol
Exact Mass328.07
IUPAC Name2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)O
InChIInChI=1S/C13H16N2O6S/c1-2-3-4-10(12(16)17)15-22(19,20)8-5-6-9-11(7-8)21-13(18)14-9/h5-7,10,15H,2-4H2,1H3,(H,14,18)(H,16,17)
InChIKeyCEYXAHPCBHZIDU-UHFFFAOYSA-N
XLogP1.04
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(1-pyridin-3-ylpentyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 131938913
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
(2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonylamino]hexanoic acid
CID 42587865
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-(furan-3-ylsulfonylamino)hexanoic acid
CID 120968679
N-(4-methoxyphenyl)-4-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20949427
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid (CID 82155470) is 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)O.
What is the InChIKey of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The InChIKey is CEYXAHPCBHZIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6S/c1-2-3-4-10(12(16)17)15-22(19,20)8-5-6-9-11(7-8)21-13(18)14-9/h5-7,10,15H,2-4H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid has a molecular weight of 328.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82155470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).