N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H14F2N2O5S — CID 26898570

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H14F2N2O5S/c18-17(19)27(24,25)12-7-5-11(6-8-12)20-15(22)9-21-13-3-1-2-4-14(13)26-10-16(21)23/h1-8,17H,9-10H2,(H,20,22)
InChIKeyCXBFCVHVVSSMES-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.05
Rot. Bonds5

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

N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 26898570) has the molecular formula C17H14F2N2O5S and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID26898570
Molecular FormulaC17H14F2N2O5S
Molecular Weight396.37 g/mol
Exact Mass396.06
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H14F2N2O5S/c18-17(19)27(24,25)12-7-5-11(6-8-12)20-15(22)9-21-13-3-1-2-4-14(13)26-10-16(21)23/h1-8,17H,9-10H2,(H,20,22)
InChIKeyCXBFCVHVVSSMES-UHFFFAOYSA-N
XLogP2.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 26898570) is N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is CXBFCVHVVSSMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5S/c18-17(19)27(24,25)12-7-5-11(6-8-12)20-15(22)9-21-13-3-1-2-4-14(13)26-10-16(21)23/h1-8,17H,9-10H2,(H,20,22).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 396.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 26898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).