4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H14F2N2O4S — CID 106099213

IUPAC4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCC2(O)CCOC2)c(F)c1
InChIInChI=1S/C11H14F2N2O4S/c12-8-3-7(14)4-9(13)10(8)20(17,18)15-5-11(16)1-2-19-6-11/h3-4,15-16H,1-2,5-6,14H2
InChIKeyDAFNNYMMBMBLPR-UHFFFAOYSA-N
MW308.31 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 106099213) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID106099213
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCC2(O)CCOC2)c(F)c1
InChIInChI=1S/C11H14F2N2O4S/c12-8-3-7(14)4-9(13)10(8)20(17,18)15-5-11(16)1-2-19-6-11/h3-4,15-16H,1-2,5-6,14H2
InChIKeyDAFNNYMMBMBLPR-UHFFFAOYSA-N
XLogP-0.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106100372
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848197
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
3-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106099461

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 106099213) is 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is Nc1cc(F)c(S(=O)(=O)NCC2(O)CCOC2)c(F)c1.
What is the InChIKey of 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is DAFNNYMMBMBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c12-8-3-7(14)4-9(13)10(8)20(17,18)15-5-11(16)1-2-19-6-11/h3-4,15-16H,1-2,5-6,14H2.
What are the key properties of 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106099213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).