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

C16H16N2O4S — CID 16615769

IUPACN-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-3-4-12(7-11(10)2)18-23(20,21)13-5-6-15-14(8-13)17-16(19)9-22-15/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyFLRPVXLMOJGRDV-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.44
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16615769) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16615769
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-3-4-12(7-11(10)2)18-23(20,21)13-5-6-15-14(8-13)17-16(19)9-22-15/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyFLRPVXLMOJGRDV-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.44
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
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
2-[6-(Azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL]-N-benzyl-N-(propan-2-YL)acetamide
CID 16019762
2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-YL]acetamide
CID 16008205
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-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615773

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16615769) is N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is FLRPVXLMOJGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-3-4-12(7-11(10)2)18-23(20,21)13-5-6-15-14(8-13)17-16(19)9-22-15/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.44, 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)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16615769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).