3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide

C11H16F2N2O4S — CID 106242536

IUPAC3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O4S/c1-19-6-7(16)4-5-15-20(17,18)9-3-2-8(12)11(14)10(9)13/h2-3,7,15-16H,4-6,14H2,1H3
InChIKeyPJSLRRPXNZNHRZ-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.22
Rot. Bonds7

About 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide (PubChem CID 106242536) has the molecular formula C11H16F2N2O4S and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
PubChem CID106242536
Molecular FormulaC11H16F2N2O4S
Molecular Weight310.32 g/mol
Exact Mass310.08
IUPAC Name3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O4S/c1-19-6-7(16)4-5-15-20(17,18)9-3-2-8(12)11(14)10(9)13/h2-3,7,15-16H,4-6,14H2,1H3
InChIKeyPJSLRRPXNZNHRZ-UHFFFAOYSA-N
XLogP0.22
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
3-amino-2,4-difluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 107343857
5-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242569
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
4-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242617
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822
3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343827
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide (CID 106242536) is 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide is COCC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide?
The InChIKey is PJSLRRPXNZNHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4S/c1-19-6-7(16)4-5-15-20(17,18)9-3-2-8(12)11(14)10(9)13/h2-3,7,15-16H,4-6,14H2,1H3.
What are the key properties of 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide has a molecular weight of 310.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 106242536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).