N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C15H14N2O5S — CID 110760726

IUPACN-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O5S/c1-2-21-13-6-4-3-5-11(13)17-23(19,20)10-7-8-14-12(9-10)16-15(18)22-14/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeySQIWXHNDPKGEHR-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.32
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760726) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760726
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O5S/c1-2-21-13-6-4-3-5-11(13)17-23(19,20)10-7-8-14-12(9-10)16-15(18)22-14/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeySQIWXHNDPKGEHR-UHFFFAOYSA-N
XLogP2.32
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831
N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024943
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 110760726) is N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is SQIWXHNDPKGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-2-21-13-6-4-3-5-11(13)17-23(19,20)10-7-8-14-12(9-10)16-15(18)22-14/h3-9,17H,2H2,1H3,(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 334.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).