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

C13H16N2O6S — CID 7573837

IUPAC6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O6S/c16-12(17)4-2-1-3-7-14-22(19,20)9-5-6-10-11(8-9)21-13(18)15-10/h5-6,8,14H,1-4,7H2,(H,15,18)(H,16,17)
InChIKeyLZGYFQCYPWTEIX-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.04
Rot. Bonds8

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

6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid (PubChem CID 7573837) has the molecular formula C13H16N2O6S and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
PubChem CID7573837
Molecular FormulaC13H16N2O6S
Molecular Weight328.35 g/mol
Exact Mass328.07
IUPAC Name6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O6S/c16-12(17)4-2-1-3-7-14-22(19,20)9-5-6-10-11(8-9)21-13(18)15-10/h5-6,8,14H,1-4,7H2,(H,15,18)(H,16,17)
InChIKeyLZGYFQCYPWTEIX-UHFFFAOYSA-N
XLogP1.04
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 126815306
3-[benzyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]propanoic acid
CID 45328014
N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 46341317
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470
2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110400838

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid (CID 7573837) is 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid is O=C(O)CCCCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
The InChIKey is LZGYFQCYPWTEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6S/c16-12(17)4-2-1-3-7-14-22(19,20)9-5-6-10-11(8-9)21-13(18)15-10/h5-6,8,14H,1-4,7H2,(H,15,18)(H,16,17).
What are the key properties of 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid?
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid has a molecular weight of 328.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 7573837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).