N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C11H13F2N3O4S — CID 114383964

IUPACN-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H13F2N3O4S/c12-11(13,5-14)6-15-21(18,19)7-1-2-9-8(3-7)16-10(17)4-20-9/h1-3,15H,4-6,14H2,(H,16,17)
InChIKeyNFRGXOSNQXQLHU-UHFFFAOYSA-N
MW321.31 g/mol
LogP-0.11
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 114383964) has the molecular formula C11H13F2N3O4S and a molecular weight of 321.31 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID114383964
Molecular FormulaC11H13F2N3O4S
Molecular Weight321.31 g/mol
Exact Mass321.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H13F2N3O4S/c12-11(13,5-14)6-15-21(18,19)7-1-2-9-8(3-7)16-10(17)4-20-9/h1-3,15H,4-6,14H2,(H,16,17)
InChIKeyNFRGXOSNQXQLHU-UHFFFAOYSA-N
XLogP-0.11
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43605776
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
N-[3-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43606655
3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16621028
3-oxo-N-[2-(4-propan-2-ylphenyl)ethyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 17482231
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811
4-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110738462
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 97126102

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 114383964) is N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is NFRGXOSNQXQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O4S/c12-11(13,5-14)6-15-21(18,19)7-1-2-9-8(3-7)16-10(17)4-20-9/h1-3,15H,4-6,14H2,(H,16,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 321.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 114383964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).