5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide

C11H16F2N2O5S — CID 106165551

IUPAC5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(F)(F)CO)cc1N
InChIInChI=1S/C11H16F2N2O5S/c1-19-8-4-9(20-2)10(3-7(8)14)21(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyWXIUJYZSICPFGM-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.19
Rot. Bonds7

About 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 106165551) has the molecular formula C11H16F2N2O5S and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID106165551
Molecular FormulaC11H16F2N2O5S
Molecular Weight326.32 g/mol
Exact Mass326.07
IUPAC Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(F)(F)CO)cc1N
InChIInChI=1S/C11H16F2N2O5S/c1-19-8-4-9(20-2)10(3-7(8)14)21(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyWXIUJYZSICPFGM-UHFFFAOYSA-N
XLogP0.19
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
methyl 3-amino-4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]benzoate
CID 106165680
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974809
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide (CID 106165551) is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCC(F)(F)CO)cc1N.
What is the InChIKey of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WXIUJYZSICPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O5S/c1-19-8-4-9(20-2)10(3-7(8)14)21(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide?
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 326.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 106165551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).