N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide

C13H19F3N2O2S — CID 119985170

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-5-10(15)9(14)4-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3
InChIKeyIMDXFNMXSCBEPN-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.15
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide (PubChem CID 119985170) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
PubChem CID119985170
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-5-10(15)9(14)4-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3
InChIKeyIMDXFNMXSCBEPN-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide 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

4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 668999
4-fluoro-N-(3-methylbutyl)benzene-1-sulfonamide
CID 669765
4-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 974111
N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide
CID 2799390
N-(1-amino-2-methylpropan-2-yl)-2,6-difluorobenzenesulfonamide
CID 63194227
N-(2-amino-2-methylpropyl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 75431036
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 75431088
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-methylbenzenesulfonamide
CID 75431090
N-(2-amino-2-methylpropyl)-2,4-difluoro-5-methylbenzenesulfonamide
CID 75431121
N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 84591341
N-(2-amino-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 84591348
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzenesulfonamide
CID 84591392

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide (CID 119985170) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide?
The InChIKey is IMDXFNMXSCBEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-5-10(15)9(14)4-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 119985170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).