N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide

C12H12F2N2O3S — CID 56795225

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3
InChIKeyQSLHBXYBYVQEFC-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.91
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 56795225) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID56795225
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3
InChIKeyQSLHBXYBYVQEFC-UHFFFAOYSA-N
XLogP1.91
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide
CID 11559425
N-[(4-fluorophenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 8351137
(4-Fluorophenyl)(isoxazol-3-ylmethyl)(methylsulfonyl)amine
CID 24208312
N'-benzyl-N-(1-isoxazol-3-ylethyl)-N-methylsulfamide
CID 56872796
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620
N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137948
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylmethanesulfonamide
CID 37508506
1-(3-fluorophenyl)-N-(2-(3-methylisoxazol-5-yl)ethyl)methanesulfonamide
CID 71789767
N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine
CID 71858818
N-(2-fluoro-6-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 75449114
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]ethanamine
CID 75456034
3-[[4-(3-Phenylprop-2-ynyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 86819685

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 56795225) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide is CN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is QSLHBXYBYVQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 56795225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).