N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide

C17H13F2N3O3S — CID 6851670

IUPACN'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N\S(=O)(=O)c2ccc(F)cc2F)c2ccccc2)no1
InChIInChI=1S/C17H13F2N3O3S/c1-11-9-16(21-25-11)20-17(12-5-3-2-4-6-12)22-26(23,24)15-8-7-13(18)10-14(15)19/h2-10H,1H3,(H,20,21,22)
InChIKeyGWYUVQLJAASBND-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.51
Rot. Bonds4

About N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide

N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide (PubChem CID 6851670) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide
PubChem CID6851670
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC NameN'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N\S(=O)(=O)c2ccc(F)cc2F)c2ccccc2)no1
InChIInChI=1S/C17H13F2N3O3S/c1-11-9-16(21-25-11)20-17(12-5-3-2-4-6-12)22-26(23,24)15-8-7-13(18)10-14(15)19/h2-10H,1H3,(H,20,21,22)
InChIKeyGWYUVQLJAASBND-UHFFFAOYSA-N
XLogP3.51
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide (CID 6851670) is N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide is Cc1cc(N/C(=N\S(=O)(=O)c2ccc(F)cc2F)c2ccccc2)no1.
What is the InChIKey of N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide?
The InChIKey is GWYUVQLJAASBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-11-9-16(21-25-11)20-17(12-5-3-2-4-6-12)22-26(23,24)15-8-7-13(18)10-14(15)19/h2-10H,1H3,(H,20,21,22).
What are the key properties of N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide?
N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide has a molecular weight of 377.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 6851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).