2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide

C15H31F2NO3S — CID 18735449

IUPAC2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CCOCC(C)(F)F
InChIInChI=1S/C15H31F2NO3S/c1-13(2)11-18(8-7-14(3,4)5)22(19,20)10-9-21-12-15(6,16)17/h13H,7-12H2,1-6H3
InChIKeyDJQZNCFYTVBBTB-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.38
Rot. Bonds10

About 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide

2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 18735449) has the molecular formula C15H31F2NO3S and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
PubChem CID18735449
Molecular FormulaC15H31F2NO3S
Molecular Weight343.48 g/mol
Exact Mass343.20
IUPAC Name2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CCOCC(C)(F)F
InChIInChI=1S/C15H31F2NO3S/c1-13(2)11-18(8-7-14(3,4)5)22(19,20)10-9-21-12-15(6,16)17/h13H,7-12H2,1-6H3
InChIKeyDJQZNCFYTVBBTB-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide (CID 18735449) is 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide is CC(C)CN(CCC(C)(C)C)S(=O)(=O)CCOCC(C)(F)F.
What is the InChIKey of 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is DJQZNCFYTVBBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F2NO3S/c1-13(2)11-18(8-7-14(3,4)5)22(19,20)10-9-21-12-15(6,16)17/h13H,7-12H2,1-6H3.
What are the key properties of 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide?
2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 343.48 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 18735449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).