N-tert-butyl-2,3-difluorobenzenesulfonamide

C10H13F2NO2S — CID 167068212

IUPACN-tert-butyl-2,3-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)8-6-4-5-7(11)9(8)12/h4-6,13H,1-3H3
InChIKeyAWFYFYUDCBROOE-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-2,3-difluorobenzenesulfonamide

N-tert-butyl-2,3-difluorobenzenesulfonamide (PubChem CID 167068212) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-tert-butyl-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,3-difluorobenzenesulfonamide
PubChem CID167068212
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-tert-butyl-2,3-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)8-6-4-5-7(11)9(8)12/h4-6,13H,1-3H3
InChIKeyAWFYFYUDCBROOE-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
CID 68896231
N-tert-butyl-3-fluoro-2-pyridin-3-ylbenzenesulfonamide
CID 175711692
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111266790
2-[4-(bromomethyl)phenyl]-N-tert-butyl-6-fluorobenzenesulfonamide
CID 57086267
N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
CID 90756496
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-difluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2,3-difluorobenzenesulfonamide (CID 167068212) is N-tert-butyl-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2,3-difluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2,3-difluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of N-tert-butyl-2,3-difluorobenzenesulfonamide?
The InChIKey is AWFYFYUDCBROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)8-6-4-5-7(11)9(8)12/h4-6,13H,1-3H3.
What are the key properties of N-tert-butyl-2,3-difluorobenzenesulfonamide?
N-tert-butyl-2,3-difluorobenzenesulfonamide has a molecular weight of 249.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 167068212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).