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

C14H11FN2O4S — CID 728803

IUPACN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C14H11FN2O4S/c1-17-12-7-6-11(8-13(12)21-14(17)18)22(19,20)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3
InChIKeyGAYLUOKDPXKCNJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.07
Rot. Bonds3

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

N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 728803) has the molecular formula C14H11FN2O4S and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID728803
Molecular FormulaC14H11FN2O4S
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC NameN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C14H11FN2O4S/c1-17-12-7-6-11(8-13(12)21-14(17)18)22(19,20)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3
InChIKeyGAYLUOKDPXKCNJ-UHFFFAOYSA-N
XLogP2.07
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 728803) is N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is GAYLUOKDPXKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S/c1-17-12-7-6-11(8-13(12)21-14(17)18)22(19,20)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3.
What are the key properties of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 322.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).