N-tert-butyl-2,5-difluorobenzenesulfonamide

C10H13F2NO2S — CID 17375863

IUPACN-tert-butyl-2,5-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3
InChIKeyMECYWUJBBJYYAM-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-2,5-difluorobenzenesulfonamide

N-tert-butyl-2,5-difluorobenzenesulfonamide (PubChem CID 17375863) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-tert-butyl-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,5-difluorobenzenesulfonamide
PubChem CID17375863
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-tert-butyl-2,5-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3
InChIKeyMECYWUJBBJYYAM-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-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664
N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
CID 164769264
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-2-phenylpropanamide
CID 94812462
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 102920451
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2,5-difluorobenzenesulfonamide (CID 17375863) is N-tert-butyl-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2,5-difluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-tert-butyl-2,5-difluorobenzenesulfonamide?
The InChIKey is MECYWUJBBJYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3.
What are the key properties of N-tert-butyl-2,5-difluorobenzenesulfonamide?
N-tert-butyl-2,5-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-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 17375863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).