N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C14H12N2O5S — CID 1093452

IUPACN-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21
InChIInChI=1S/C14H12N2O5S/c1-16-12-7-6-11(8-13(12)21-14(16)18)22(19,20)15-9-2-4-10(17)5-3-9/h2-8,15,17H,1H3
InChIKeyYXLPAJIBEAIQRZ-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.64
Rot. Bonds3

About N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 1093452) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID1093452
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC NameN-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21
InChIInChI=1S/C14H12N2O5S/c1-16-12-7-6-11(8-13(12)21-14(16)18)22(19,20)15-9-2-4-10(17)5-3-9/h2-8,15,17H,1H3
InChIKeyYXLPAJIBEAIQRZ-UHFFFAOYSA-N
XLogP1.64
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 1093452) is N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is YXLPAJIBEAIQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c1-16-12-7-6-11(8-13(12)21-14(16)18)22(19,20)15-9-2-4-10(17)5-3-9/h2-8,15,17H,1H3.
What are the key properties of N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 320.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 1093452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).