N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide

C13H20F2N2O2S — CID 9236304

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H20F2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(14)5-6-11(12)15/h5-7,16H,8-9H2,1-4H3
InChIKeyLIVSUTADZYDNOW-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide (PubChem CID 9236304) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
PubChem CID9236304
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H20F2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(14)5-6-11(12)15/h5-7,16H,8-9H2,1-4H3
InChIKeyLIVSUTADZYDNOW-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-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-(5-bromo-2,2-dimethylpentyl)-2,5-difluorobenzenesulfonamide
CID 106146364
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide (CID 9236304) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is LIVSUTADZYDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(14)5-6-11(12)15/h5-7,16H,8-9H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 306.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 9236304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).