N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide

C13H21FN2O2S — CID 79667940

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-4-16(10-13(2,3)9-15)19(17,18)12-7-5-11(14)6-8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyKYMXJZLWYLAUCX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.82
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 79667940) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID79667940
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-4-16(10-13(2,3)9-15)19(17,18)12-7-5-11(14)6-8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyKYMXJZLWYLAUCX-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide 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-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 79668101
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79667611
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 79667940) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is KYMXJZLWYLAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-4-16(10-13(2,3)9-15)19(17,18)12-7-5-11(14)6-8-12/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).