3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride

C11H8ClFN2O4S — CID 66156540

IUPAC3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)no1
InChIInChI=1S/C11H8ClFN2O4S/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(5-8(9)13)20(12,17)18/h2-5H,1H3,(H,14,16)
InChIKeyVZJWCOLMTWDZJK-UHFFFAOYSA-N
MW318.71 g/mol
LogP2.30
Rot. Bonds3

About 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride

3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 66156540) has the molecular formula C11H8ClFN2O4S and a molecular weight of 318.71 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID66156540
Molecular FormulaC11H8ClFN2O4S
Molecular Weight318.71 g/mol
Exact Mass317.99
IUPAC Name3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)no1
InChIInChI=1S/C11H8ClFN2O4S/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(5-8(9)13)20(12,17)18/h2-5H,1H3,(H,14,16)
InChIKeyVZJWCOLMTWDZJK-UHFFFAOYSA-N
XLogP2.30
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride (CID 66156540) is 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)no1.
What is the InChIKey of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is VZJWCOLMTWDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(5-8(9)13)20(12,17)18/h2-5H,1H3,(H,14,16).
What are the key properties of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride?
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 318.71 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 66156540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).