2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide

C14H21F2NO3S — CID 138014152

IUPAC2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CCOCC(F)F)c(C)c1
InChIInChI=1S/C14H21F2NO3S/c1-10-6-11(2)13(12(3)7-10)8-17-21(18,19)5-4-20-9-14(15)16/h6-7,14,17H,4-5,8-9H2,1-3H3
InChIKeyXJUQZODJYXILHF-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.31
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide

2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide (PubChem CID 138014152) has the molecular formula C14H21F2NO3S and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
PubChem CID138014152
Molecular FormulaC14H21F2NO3S
Molecular Weight321.39 g/mol
Exact Mass321.12
IUPAC Name2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CCOCC(F)F)c(C)c1
InChIInChI=1S/C14H21F2NO3S/c1-10-6-11(2)13(12(3)7-10)8-17-21(18,19)5-4-20-9-14(15)16/h6-7,14,17H,4-5,8-9H2,1-3H3
InChIKeyXJUQZODJYXILHF-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 94691758
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylbenzenesulfonamide
CID 103081891
2-(2,2-difluoroethoxy)ethanesulfonyl chloride
CID 75480959
2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
CID 94696964
3-(2,2-difluoroethoxy)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-one
CID 106680115
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106091842
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide
CID 154772259

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide (CID 138014152) is 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide is Cc1cc(C)c(CNS(=O)(=O)CCOCC(F)F)c(C)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The InChIKey is XJUQZODJYXILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3S/c1-10-6-11(2)13(12(3)7-10)8-17-21(18,19)5-4-20-9-14(15)16/h6-7,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide has a molecular weight of 321.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 138014152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).