4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C15H13N3O4S — CID 15541227

IUPAC4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3
InChIKeyWEAAAYXKFUNRQD-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.60
Rot. Bonds3

About 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541227) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541227
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3
InChIKeyWEAAAYXKFUNRQD-UHFFFAOYSA-N
XLogP1.60
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541227) is 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is WEAAAYXKFUNRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).