N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide

C12H14F3NO3S — CID 61236211

IUPACN,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)20-10-3-1-9(2-4-10)11(19)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2
InChIKeyBUDYXWGCZJDQAE-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.73
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide

N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 61236211) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID61236211
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)20-10-3-1-9(2-4-10)11(19)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2
InChIKeyBUDYXWGCZJDQAE-UHFFFAOYSA-N
XLogP1.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 61236211) is N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide is O=C(c1ccc(SC(F)(F)F)cc1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is BUDYXWGCZJDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)20-10-3-1-9(2-4-10)11(19)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 309.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 61236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).