N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C16H14N2O5S — CID 3243993

IUPACN-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H14N2O5S/c1-10(19)11-4-3-5-12(8-11)17-24(21,22)13-6-7-14-15(9-13)23-16(20)18(14)2/h3-9,17H,1-2H3
InChIKeyFUEWBIZFEPCTSE-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.13
Rot. Bonds4

About N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 3243993) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID3243993
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H14N2O5S/c1-10(19)11-4-3-5-12(8-11)17-24(21,22)13-6-7-14-15(9-13)23-16(20)18(14)2/h3-9,17H,1-2H3
InChIKeyFUEWBIZFEPCTSE-UHFFFAOYSA-N
XLogP2.13
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 3243993) is N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FUEWBIZFEPCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-10(19)11-4-3-5-12(8-11)17-24(21,22)13-6-7-14-15(9-13)23-16(20)18(14)2/h3-9,17H,1-2H3.
What are the key properties of N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 3243993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).