N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C17H18N2O4S — CID 22548371

IUPACN-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C
InChIInChI=1S/C17H18N2O4S/c1-10-4-5-13(6-11(10)2)19-24(21,22)16-8-15-14(7-12(16)3)18-17(20)9-23-15/h4-8,19H,9H2,1-3H3,(H,18,20)
InChIKeyOHQSSKLYMQFLQN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.74
Rot. Bonds3

About N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548371) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548371
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C
InChIInChI=1S/C17H18N2O4S/c1-10-4-5-13(6-11(10)2)19-24(21,22)16-8-15-14(7-12(16)3)18-17(20)9-23-15/h4-8,19H,9H2,1-3H3,(H,18,20)
InChIKeyOHQSSKLYMQFLQN-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
N-(4-fluoro-2-methylphenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 16018461
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615773
7-methyl-3-oxo-N-[2-(2-propylphenoxy)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295638
7-methyl-3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295643
N-(2,4-dimethoxyphenyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 16018480
4-acetyl-N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 16018553
N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615769

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548371) is N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is OHQSSKLYMQFLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-4-5-13(6-11(10)2)19-24(21,22)16-8-15-14(7-12(16)3)18-17(20)9-23-15/h4-8,19H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).