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

C15H14N2O3S2 — CID 11809792

IUPAC4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19)
InChIKeyQZZAWDUEHAPFKB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.33
Rot. Bonds3

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

4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 11809792) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID11809792
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19)
InChIKeyQZZAWDUEHAPFKB-UHFFFAOYSA-N
XLogP3.33
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 11809792) is 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 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)cc2)o1.
What is the InChIKey of 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is QZZAWDUEHAPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19).
What are the key properties of 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(5-methylthiophen-2-yl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11809792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).