5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide

C11H9F2N3O4S — CID 71853597

IUPAC5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C11H9F2N3O4S/c12-8-2-1-7(4-9(8)13)21(18,19)15-5-6-3-10(11(14)17)16-20-6/h1-4,15H,5H2,(H2,14,17)
InChIKeyQFGDZGYNZLXQDV-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.53
Rot. Bonds5

About 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide

5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71853597) has the molecular formula C11H9F2N3O4S and a molecular weight of 317.27 g/mol. Its IUPAC name is 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID71853597
Molecular FormulaC11H9F2N3O4S
Molecular Weight317.27 g/mol
Exact Mass317.03
IUPAC Name5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C11H9F2N3O4S/c12-8-2-1-7(4-9(8)13)21(18,19)15-5-6-3-10(11(14)17)16-20-6/h1-4,15H,5H2,(H2,14,17)
InChIKeyQFGDZGYNZLXQDV-UHFFFAOYSA-N
XLogP0.53
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-difluorophenyl)sulfonylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397491
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614370
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
3,4,5-trifluoro-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 71997561
N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 162673686
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide (CID 71853597) is 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide is NC(=O)c1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QFGDZGYNZLXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O4S/c12-8-2-1-7(4-9(8)13)21(18,19)15-5-6-3-10(11(14)17)16-20-6/h1-4,15H,5H2,(H2,14,17).
What are the key properties of 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide?
5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,4-difluorophenyl)sulfonylamino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71853597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).