N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide

C11H23F2NO2S — CID 58124376

IUPACN-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(C)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F2NO2S/c1-8(2)9(10(3,4)5)7-14-17(15,16)11(6,12)13/h8-9,14H,7H2,1-6H3
InChIKeyLQXCHLXNTYMBCY-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.84
Rot. Bonds5

About N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide

N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide (PubChem CID 58124376) has the molecular formula C11H23F2NO2S and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
PubChem CID58124376
Molecular FormulaC11H23F2NO2S
Molecular Weight271.37 g/mol
Exact Mass271.14
IUPAC NameN-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(C)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F2NO2S/c1-8(2)9(10(3,4)5)7-14-17(15,16)11(6,12)13/h8-9,14H,7H2,1-6H3
InChIKeyLQXCHLXNTYMBCY-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide (CID 58124376) is N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide is CC(C)C(CNS(=O)(=O)C(C)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide?
The InChIKey is LQXCHLXNTYMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2S/c1-8(2)9(10(3,4)5)7-14-17(15,16)11(6,12)13/h8-9,14H,7H2,1-6H3.
What are the key properties of N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide?
N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide has a molecular weight of 271.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 58124376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).