N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide

C11H11FN2O3S — CID 56794485

IUPACN-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C11H11FN2O3S/c1-8-2-3-9(12)6-11(8)14-18(15,16)7-10-4-5-17-13-10/h2-6,14H,7H2,1H3
InChIKeyXNSBJRSVUUPJDJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.06
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide

N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 56794485) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID56794485
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C11H11FN2O3S/c1-8-2-3-9(12)6-11(8)14-18(15,16)7-10-4-5-17-13-10/h2-6,14H,7H2,1H3
InChIKeyXNSBJRSVUUPJDJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 3861893
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
3,5-dimethyl-N-(3-methylphenyl)isoxazole-4-sulfonamide
CID 6621829
5-[1-(4-Fluorophenyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole
CID 45822882
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620
N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137948
N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436909
3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 17421857
N-[(4-fluorophenyl)methylsulfonyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 53608210
(3-Phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 54592547
N-(2-(3-methylisoxazol-5-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71789764
1-(3-fluorophenyl)-N-(2-(3-methylisoxazol-5-yl)ethyl)methanesulfonamide
CID 71789767

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 56794485) is N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)Cc1ccon1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is XNSBJRSVUUPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-8-2-3-9(12)6-11(8)14-18(15,16)7-10-4-5-17-13-10/h2-6,14H,7H2,1H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 270.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 56794485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).