N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide

C11H16F2N2O2S — CID 61133614

IUPACN-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-11(2,7-14)15-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,15H,3,7,14H2,1-2H3
InChIKeyMSCCRUBKECIGTE-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.37
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide

N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 61133614) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
PubChem CID61133614
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-11(2,7-14)15-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,15H,3,7,14H2,1-2H3
InChIKeyMSCCRUBKECIGTE-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide 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

N-Butylbenzenesulfonamide
CID 19241
N-Ethylbenzenesulfonamide
CID 79279
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
4-[(2S)-2-amino-3-methylbutyl]selanylbenzenesulfonamide
CID 145951028
N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 4199260
N-pentan-2-ylbenzenesulfonamide
CID 653062
N-cyclooctyl-4-fluorobenzenesulfonamide
CID 873800
N-cyclopropyl-4-fluorobenzene-1-sulfonamide
CID 880363
N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 1540950
N-cyclooctyl-2-fluorobenzenesulfonamide
CID 2439962
N-cyclopentyl-2,5-difluorobenzenesulfonamide
CID 6468464

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide (CID 61133614) is N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide is CCC(C)(CN)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is MSCCRUBKECIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-3-11(2,7-14)15-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,15H,3,7,14H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 61133614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).