4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C12H13FN2O3S — CID 110671279

IUPAC4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-5-10(13)3-4-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyXROQJGFJLMMZBX-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110671279) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110671279
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-5-10(13)3-4-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyXROQJGFJLMMZBX-UHFFFAOYSA-N
XLogP1.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
CID 126821570
2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018141
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,3-dihydro-1H-indene-2-sulfonamide
CID 138018171
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 47359076
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-methylbenzenesulfonamide
CID 53597960
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53608768
4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 75510151
N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
CID 99713946
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 103833509
3-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106378240
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106378276
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106378290

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 110671279) is 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ocnc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is XROQJGFJLMMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-5-10(13)3-4-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110671279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).