2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide

C11H13F2NO4S — CID 142910750

IUPAC2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCONS(=O)(=O)c1cc(C(=O)C(C)C)c(F)cc1F
InChIInChI=1S/C11H13F2NO4S/c1-6(2)11(15)7-4-10(9(13)5-8(7)12)19(16,17)14-18-3/h4-6,14H,1-3H3
InChIKeyQSTFKHHAJHQMGH-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.64
Rot. Bonds5

About 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide

2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 142910750) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide
PubChem CID142910750
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCONS(=O)(=O)c1cc(C(=O)C(C)C)c(F)cc1F
InChIInChI=1S/C11H13F2NO4S/c1-6(2)11(15)7-4-10(9(13)5-8(7)12)19(16,17)14-18-3/h4-6,14H,1-3H3
InChIKeyQSTFKHHAJHQMGH-UHFFFAOYSA-N
XLogP1.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
CID 22953700
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide
CID 58961087
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
methyl 2-bromo-5-[(2,4-difluorophenyl)sulfamoyl]-4-fluorobenzoate
CID 86957052
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide
CID 39372198

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide (CID 142910750) is 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide is CONS(=O)(=O)c1cc(C(=O)C(C)C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is QSTFKHHAJHQMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-6(2)11(15)7-4-10(9(13)5-8(7)12)19(16,17)14-18-3/h4-6,14H,1-3H3.
What are the key properties of 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide?
2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 293.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 142910750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).