4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C11H11FN2O3S — CID 110671267

IUPAC4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyDPERDVORPCOASP-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.60
Rot. Bonds4

About 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110671267) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110671267
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyDPERDVORPCOASP-UHFFFAOYSA-N
XLogP1.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 47359109
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 47359116
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 47359127
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359132
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4,5-trifluorobenzenesulfonamide
CID 53598522
4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 75510151
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 86825338
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 106369255
4-fluoro-3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671278
4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671279
1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110671302
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 110714857

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 110671267) is 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is DPERDVORPCOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 270.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110671267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).