N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide

C14H16F3NO4S — CID 55631834

IUPACN-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NCCC1CCCO1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)23(20,21)12-5-3-10(4-6-12)13(19)18-8-7-11-2-1-9-22-11/h3-6,11H,1-2,7-9H2,(H,18,19)
InChIKeyGKMMMEOAJQXIRK-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide

N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55631834) has the molecular formula C14H16F3NO4S and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55631834
Molecular FormulaC14H16F3NO4S
Molecular Weight351.35 g/mol
Exact Mass351.08
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NCCC1CCCO1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)23(20,21)12-5-3-10(4-6-12)13(19)18-8-7-11-2-1-9-22-11/h3-6,11H,1-2,7-9H2,(H,18,19)
InChIKeyGKMMMEOAJQXIRK-UHFFFAOYSA-N
XLogP2.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
CID 31400679
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide (CID 55631834) is N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide is O=C(NCCC1CCCO1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is GKMMMEOAJQXIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4S/c15-14(16,17)23(20,21)12-5-3-10(4-6-12)13(19)18-8-7-11-2-1-9-22-11/h3-6,11H,1-2,7-9H2,(H,18,19).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide?
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 351.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55631834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).