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

C11H16F2N2O2S — CID 65023136

IUPAC5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-6(2)7(3)15-18(16,17)10-5-8(14)4-9(12)11(10)13/h4-7,15H,14H2,1-3H3
InChIKeyJRCCQTUGOFMNIX-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.87
Rot. Bonds4

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

5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 65023136) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID65023136
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-6(2)7(3)15-18(16,17)10-5-8(14)4-9(12)11(10)13/h4-7,15H,14H2,1-3H3
InChIKeyJRCCQTUGOFMNIX-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)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

5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029
5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 65022203
5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
5-amino-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 80646566
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 65023136) is 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is JRCCQTUGOFMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-6(2)7(3)15-18(16,17)10-5-8(14)4-9(12)11(10)13/h4-7,15H,14H2,1-3H3.
What are the key properties of 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65023136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).