N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide

C12H16F2N2O3S — CID 51335471

IUPACN-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
SMILESCC(NS(=O)(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-9(11-3-2-10(13)8-12(11)14)15-20(17,18)16-4-6-19-7-5-16/h2-3,8-9,15H,4-7H2,1H3
InChIKeyPVCQIHNFXKJDHZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.19
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide

N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide (PubChem CID 51335471) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
PubChem CID51335471
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
SMILESCC(NS(=O)(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-9(11-3-2-10(13)8-12(11)14)15-20(17,18)16-4-6-19-7-5-16/h2-3,8-9,15H,4-7H2,1H3
InChIKeyPVCQIHNFXKJDHZ-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
{[(2-Fluorophenyl)methyl][2-(morpholin-4-YL)ethyl]sulfamoyl}dimethylamine
CID 665482
4-Morpholinamine, N-(1-phenylethyl)-
CID 3029320
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanesulfonamide
CID 76332110
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54765508
2-Morpholin-4-Yl-2-[4-(Trifluoromethyl)Phenyl]Ethylamine
CID 3871090
2-(2-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16642754

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide (CID 51335471) is N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide is CC(NS(=O)(=O)N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide?
The InChIKey is PVCQIHNFXKJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-9(11-3-2-10(13)8-12(11)14)15-20(17,18)16-4-6-19-7-5-16/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide?
N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide has a molecular weight of 306.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51335471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).