N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C11H14N2O6S — CID 146024908

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCOCCO)ccc2o1
InChIInChI=1S/C11H14N2O6S/c14-4-6-18-5-3-12-20(16,17)8-1-2-10-9(7-8)13-11(15)19-10/h1-2,7,12,14H,3-6H2,(H,13,15)
InChIKeyBMTOGIQDDRWJMO-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.59
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 146024908) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID146024908
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCCOCCO)ccc2o1
InChIInChI=1S/C11H14N2O6S/c14-4-6-18-5-3-12-20(16,17)8-1-2-10-9(7-8)13-11(15)19-10/h1-2,7,12,14H,3-6H2,(H,13,15)
InChIKeyBMTOGIQDDRWJMO-UHFFFAOYSA-N
XLogP-0.59
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
CID 62497976
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122278289
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 146024908) is N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)NCCOCCO)ccc2o1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is BMTOGIQDDRWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c14-4-6-18-5-3-12-20(16,17)8-1-2-10-9(7-8)13-11(15)19-10/h1-2,7,12,14H,3-6H2,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 302.31 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 146024908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).