N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C15H15FN2O3S — CID 20969535

IUPACN-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C15H15FN2O3S/c1-18-8-9-21-15-7-6-13(10-14(15)18)22(19,20)17-12-4-2-11(16)3-5-12/h2-7,10,17H,8-9H2,1H3
InChIKeyWWAOWLGBELBBFN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.46
Rot. Bonds3

About N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 20969535) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID20969535
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C15H15FN2O3S/c1-18-8-9-21-15-7-6-13(10-14(15)18)22(19,20)17-12-4-2-11(16)3-5-12/h2-7,10,17H,8-9H2,1H3
InChIKeyWWAOWLGBELBBFN-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-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)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 20969535) is N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CN1CCOc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WWAOWLGBELBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-18-8-9-21-15-7-6-13(10-14(15)18)22(19,20)17-12-4-2-11(16)3-5-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 322.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 20969535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).