2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H18F2N2O4S — CID 6498948

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O4S/c1-23(20,21)18(10-4-5-12(15)13(16)7-10)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyHEZACRNIXQSDAI-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.03
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 6498948) has the molecular formula C14H18F2N2O4S and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID6498948
Molecular FormulaC14H18F2N2O4S
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O4S/c1-23(20,21)18(10-4-5-12(15)13(16)7-10)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyHEZACRNIXQSDAI-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 6498948) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HEZACRNIXQSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4S/c1-23(20,21)18(10-4-5-12(15)13(16)7-10)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 6498948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).