(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

C14H14F2N2O5S — CID 40767791

IUPAC(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C14H14F2N2O5S/c1-8-14(9(2)23-18-8)24(20,21)17-6-12(19)22-7-10-4-3-5-11(15)13(10)16/h3-5,17H,6-7H2,1-2H3
InChIKeyFFOBLKXDTRPZBH-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.59
Rot. Bonds6

About (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (PubChem CID 40767791) has the molecular formula C14H14F2N2O5S and a molecular weight of 360.34 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
PubChem CID40767791
Molecular FormulaC14H14F2N2O5S
Molecular Weight360.34 g/mol
Exact Mass360.06
IUPAC Name(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C14H14F2N2O5S/c1-8-14(9(2)23-18-8)24(20,21)17-6-12(19)22-7-10-4-3-5-11(15)13(10)16/h3-5,17H,6-7H2,1-2H3
InChIKeyFFOBLKXDTRPZBH-UHFFFAOYSA-N
XLogP1.59
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}benzoate
CID 2812754
N-(2-methoxybenzyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3238779
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3666206
Ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 8823800
3,5-dimethyl-N-[3-(3-methylphenoxy)propyl]-1,2-oxazole-4-sulfonamide
CID 36370944
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
ethyl 4-[(E)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 46229334
4-((3,5-Dimethylisoxazol-4-yl)sulfonyl)-2-phenylmorpholine
CID 45557384
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8061732
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 45821869
Methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-fluoro-6-methylbenzoate
CID 53603539

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The IUPAC name of (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (CID 40767791) is (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The InChIKey is FFOBLKXDTRPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5S/c1-8-14(9(2)23-18-8)24(20,21)17-6-12(19)22-7-10-4-3-5-11(15)13(10)16/h3-5,17H,6-7H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate has a molecular weight of 360.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 40767791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).