N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

C13H19F2NO4S — CID 107483523

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(CCO)CC(F)F)c(C)c1
InChIInChI=1S/C13H19F2NO4S/c1-9-6-11(20-3)7-10(2)13(9)21(18,19)16(4-5-17)8-12(14)15/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyNCFXMEIDMXTGPA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.56
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 107483523) has the molecular formula C13H19F2NO4S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID107483523
Molecular FormulaC13H19F2NO4S
Molecular Weight323.36 g/mol
Exact Mass323.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(CCO)CC(F)F)c(C)c1
InChIInChI=1S/C13H19F2NO4S/c1-9-6-11(20-3)7-10(2)13(9)21(18,19)16(4-5-17)8-12(14)15/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyNCFXMEIDMXTGPA-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 107483523) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(CCO)CC(F)F)c(C)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is NCFXMEIDMXTGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO4S/c1-9-6-11(20-3)7-10(2)13(9)21(18,19)16(4-5-17)8-12(14)15/h6-7,12,17H,4-5,8H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 323.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107483523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).