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

C19H20N2O4S — CID 15541216

IUPAC4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3
InChIKeyBZBFPIVJFSFMTP-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.31
Rot. Bonds3

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

4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541216) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541216
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3
InChIKeyBZBFPIVJFSFMTP-UHFFFAOYSA-N
XLogP3.31
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541216) is 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is BZBFPIVJFSFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).