4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide

C21H16N2O4S — CID 989114

IUPAC4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3
InChIKeyLIVHLIWSCIZRJU-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.96
Rot. Bonds4

About 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide

4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 989114) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
PubChem CID989114
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3
InChIKeyLIVHLIWSCIZRJU-UHFFFAOYSA-N
XLogP3.96
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxobenzoxazinyl naphthalene sulfoanilide
CID 82379
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoate
CID 629239
Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
CID 1037220
N1-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-4-chlorobenzene-1-sulfonamide
CID 2732124
Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate
CID 743385
2-(2-aminophenyl)-4H-3,1-benzoxazin-4-one
CID 838395
Ethyl 2-[(phenylsulfonyl)amino]benzoate
CID 627734
2-(3-Morpholin-4-ylsulfonylphenyl)-3,1-benzoxazin-4-one
CID 3236240
N1-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-4-fluorobenzene-1-sulfonamide
CID 2738094
N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)methanesulphonamide
CID 99224
Methyl 2-[(phenylsulfonyl)amino]benzoate
CID 347180
Ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate
CID 2696970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (CID 989114) is 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LIVHLIWSCIZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3.
What are the key properties of 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 989114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).