4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine

C21H19NO4S — CID 3815368

IUPAC4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c1-25-17-11-13-18(14-12-17)27(23,24)22-19-9-5-6-10-21(19)26-15-20(22)16-7-3-2-4-8-16/h2-14,20H,15H2,1H3
InChIKeyRCNNXXRUYIDGGD-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.02
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine

4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 3815368) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
PubChem CID3815368
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c1-25-17-11-13-18(14-12-17)27(23,24)22-19-9-5-6-10-21(19)26-15-20(22)16-7-3-2-4-8-16/h2-14,20H,15H2,1H3
InChIKeyRCNNXXRUYIDGGD-UHFFFAOYSA-N
XLogP4.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

Psb-12062
CID 2320735
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
N-[2-methoxy-5-[[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine
CID 71451888
N-[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455430
N-[2-methoxy-5-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
CID 71455431
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455432
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457214
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71462617
N-(2-Methoxy-phenyl)-4-methyl-N-oxiranylmethyl-benzenesulfonamide
CID 3133076
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine (CID 3815368) is 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine is COc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is RCNNXXRUYIDGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-25-17-11-13-18(14-12-17)27(23,24)22-19-9-5-6-10-21(19)26-15-20(22)16-7-3-2-4-8-16/h2-14,20H,15H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine?
4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 381.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 3815368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).