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

C16H13FN2O3S — CID 19698542

IUPAC4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H13FN2O3S/c1-10-19-15(11-4-8-14(9-5-11)23(18,20)21)16(22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
InChIKeyWHYAMRSIHQONGZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.10
Rot. Bonds3

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

4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 19698542) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID19698542
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H13FN2O3S/c1-10-19-15(11-4-8-14(9-5-11)23(18,20)21)16(22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
InChIKeyWHYAMRSIHQONGZ-UHFFFAOYSA-N
XLogP3.10
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide (CID 19698542) is 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide is Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is WHYAMRSIHQONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-10-19-15(11-4-8-14(9-5-11)23(18,20)21)16(22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 19698542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).