5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide

C11H16F2N2O3S — CID 65022203

IUPAC5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-3-8(6-18-2)15-19(16,17)10-5-7(14)4-9(12)11(10)13/h4-5,8,15H,3,6,14H2,1-2H3
InChIKeyOAHWRAPGCXORKE-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.25
Rot. Bonds6

About 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide

5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 65022203) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID65022203
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-3-8(6-18-2)15-19(16,17)10-5-7(14)4-9(12)11(10)13/h4-5,8,15H,3,6,14H2,1-2H3
InChIKeyOAHWRAPGCXORKE-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029
3,4-difluoro-5-(1-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 104654423
3-amino-4-fluoro-N-(1-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325866
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide
CID 64853052
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide (CID 65022203) is 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide is CCC(COC)NS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is OAHWRAPGCXORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-3-8(6-18-2)15-19(16,17)10-5-7(14)4-9(12)11(10)13/h4-5,8,15H,3,6,14H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65022203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).