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

C15H13FN2O3S2 — CID 11759943

IUPAC2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C15H13FN2O3S2/c1-8-3-5-12(22-8)14-15(21-9(2)18-14)10-4-6-13(11(16)7-10)23(17,19)20/h3-7H,1-2H3,(H2,17,19,20)
InChIKeyDODVNPBCMKADSZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.47
Rot. Bonds3

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

2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 11759943) has the molecular formula C15H13FN2O3S2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID11759943
Molecular FormulaC15H13FN2O3S2
Molecular Weight352.41 g/mol
Exact Mass352.04
IUPAC Name2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C15H13FN2O3S2/c1-8-3-5-12(22-8)14-15(21-9(2)18-14)10-4-6-13(11(16)7-10)23(17,19)20/h3-7H,1-2H3,(H2,17,19,20)
InChIKeyDODVNPBCMKADSZ-UHFFFAOYSA-N
XLogP3.47
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 11759943) is 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide is Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1.
What is the InChIKey of 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is DODVNPBCMKADSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S2/c1-8-3-5-12(22-8)14-15(21-9(2)18-14)10-4-6-13(11(16)7-10)23(17,19)20/h3-7H,1-2H3,(H2,17,19,20).
What are the key properties of 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11759943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).