4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine

C17H19NO4S — CID 110720697

IUPAC4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2CCOc3cc(C)cc(C)c32)cc1
InChIInChI=1S/C17H19NO4S/c1-12-10-13(2)17-16(11-12)22-9-8-18(17)23(19,20)15-6-4-14(21-3)5-7-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZIQYHIPNJYUKCB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine

4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 110720697) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID110720697
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2CCOc3cc(C)cc(C)c32)cc1
InChIInChI=1S/C17H19NO4S/c1-12-10-13(2)17-16(11-12)22-9-8-18(17)23(19,20)15-6-4-14(21-3)5-7-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZIQYHIPNJYUKCB-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzonitrile
CID 52934704
4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 82229725
4-(4-ethoxyphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639260
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
4-(4-ethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639223
7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
CID 175202252
N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096884
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110412114
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 122438127

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine (CID 110720697) is 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine is COc1ccc(S(=O)(=O)N2CCOc3cc(C)cc(C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZIQYHIPNJYUKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-10-13(2)17-16(11-12)22-9-8-18(17)23(19,20)15-6-4-14(21-3)5-7-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine?
4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 333.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 110720697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).