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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Related Compounds

3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987
3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086288
3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43101403
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-(2-fluoro-4-sulfamoylphenyl)-6-methylpyridine-2-carboxamide
CID 43246650
2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109101087
N-(2-fluoro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339483
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095

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).