3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide

C12H12ClFN2O3S — CID 47359083

IUPAC3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(Cl)c2F)oc1C
InChIInChI=1S/C12H12ClFN2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)10-5-3-4-9(13)12(10)14/h3-5,15H,6H2,1-2H3
InChIKeyFHWSGJGNDFJMER-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide

3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 47359083) has the molecular formula C12H12ClFN2O3S and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID47359083
Molecular FormulaC12H12ClFN2O3S
Molecular Weight318.76 g/mol
Exact Mass318.02
IUPAC Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(Cl)c2F)oc1C
InChIInChI=1S/C12H12ClFN2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)10-5-3-4-9(13)12(10)14/h3-5,15H,6H2,1-2H3
InChIKeyFHWSGJGNDFJMER-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-3-sulfonamide
CID 106373383
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378308
2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377965
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 47359083) is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cccc(Cl)c2F)oc1C.
What is the InChIKey of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is FHWSGJGNDFJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)10-5-3-4-9(13)12(10)14/h3-5,15H,6H2,1-2H3.
What are the key properties of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 47359083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).