N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H17FN2O3S — CID 106150611

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)14(8)21(18,19)16-7-13-17-10(3)11(4)20-13/h5-6,16H,7H2,1-4H3
InChIKeyAKCPWZAGDGBPTC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.53
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 106150611) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID106150611
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)14(8)21(18,19)16-7-13-17-10(3)11(4)20-13/h5-6,16H,7H2,1-4H3
InChIKeyAKCPWZAGDGBPTC-UHFFFAOYSA-N
XLogP2.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 106150611) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is AKCPWZAGDGBPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)14(8)21(18,19)16-7-13-17-10(3)11(4)20-13/h5-6,16H,7H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.53, 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]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106150611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).