3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide

C11H16F2N2O2S — CID 107343096

IUPAC3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-7(2)5-6-15-18(16,17)9-4-3-8(12)11(14)10(9)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyOFTHXEPMDWALHF-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.87
Rot. Bonds5

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

3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 107343096) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
PubChem CID107343096
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-7(2)5-6-15-18(16,17)9-4-3-8(12)11(14)10(9)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyOFTHXEPMDWALHF-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylsulfanylbutyl)benzenesulfonamide
CID 107343857
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
3-amino-2,4-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 114159860
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide (CID 107343096) is 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is OFTHXEPMDWALHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-7(2)5-6-15-18(16,17)9-4-3-8(12)11(14)10(9)13/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 107343096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).