N-tert-butyl-2,6-difluorobenzenesulfonamide

C10H13F2NO2S — CID 2572437

IUPACN-tert-butyl-2,6-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3
InChIKeyRJOLQYQHQUXIJK-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-2,6-difluorobenzenesulfonamide

N-tert-butyl-2,6-difluorobenzenesulfonamide (PubChem CID 2572437) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-tert-butyl-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-difluorobenzenesulfonamide
PubChem CID2572437
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-tert-butyl-2,6-difluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3
InChIKeyRJOLQYQHQUXIJK-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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2,6-difluorobenzenesulfonamide (CID 2572437) is N-tert-butyl-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2,6-difluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-tert-butyl-2,6-difluorobenzenesulfonamide?
The InChIKey is RJOLQYQHQUXIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3.
What are the key properties of N-tert-butyl-2,6-difluorobenzenesulfonamide?
N-tert-butyl-2,6-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-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 2572437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).