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

C12H13FN2O3S — CID 47359127

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3
InChIKeyVOBJKIVHTOOJTO-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 47359127) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID47359127
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3
InChIKeyVOBJKIVHTOOJTO-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

2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzenesulfonamide
CID 75523848
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
CID 126821570
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 47359076
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359083
2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 47359085
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
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359119
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359132
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 48560656
N,N-Diethyl-2-[(4-fluorobenzenesulfonamido)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 53195617
2-[(2,4-Difluorobenzenesulfonamido)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195620

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide (CID 47359127) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cccc(F)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is VOBJKIVHTOOJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide 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 N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 47359127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).