3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide

C15H11ClFN3O3S — CID 99800633

IUPAC3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C15H11ClFN3O3S/c1-9-2-7-12(8-13(9)16)24(21,22)20-15-19-18-14(23-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,19,20)
InChIKeyCLLNLGSZUFGRQR-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.64
Rot. Bonds4

About 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide

3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 99800633) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID99800633
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC Name3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C15H11ClFN3O3S/c1-9-2-7-12(8-13(9)16)24(21,22)20-15-19-18-14(23-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,19,20)
InChIKeyCLLNLGSZUFGRQR-UHFFFAOYSA-N
XLogP3.64
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide (CID 99800633) is 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1Cl.
What is the InChIKey of 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is CLLNLGSZUFGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c1-9-2-7-12(8-13(9)16)24(21,22)20-15-19-18-14(23-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide?
3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 367.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 99800633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).