N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C15H14F2N2O3S — CID 22518889

IUPACN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc21
InChIInChI=1S/C15H14F2N2O3S/c1-19-6-7-22-15-5-3-11(9-14(15)19)23(20,21)18-13-8-10(16)2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDPJQLTRITIHEJA-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.59
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 22518889) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID22518889
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc21
InChIInChI=1S/C15H14F2N2O3S/c1-19-6-7-22-15-5-3-11(9-14(15)19)23(20,21)18-13-8-10(16)2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDPJQLTRITIHEJA-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 22518889) is N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CN1CCOc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc21.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is DPJQLTRITIHEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-19-6-7-22-15-5-3-11(9-14(15)19)23(20,21)18-13-8-10(16)2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 340.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 22518889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).