4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

C18H18FN3O3S — CID 110321246

IUPAC4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3C)o2)ccc1F
InChIInChI=1S/C18H18FN3O3S/c1-12-5-3-4-6-15(12)18-22-21-17(25-18)9-10-20-26(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,20H,9-10H2,1-2H3
InChIKeyJZPBOFPCFYXQOG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.01
Rot. Bonds6

About 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 110321246) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID110321246
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3C)o2)ccc1F
InChIInChI=1S/C18H18FN3O3S/c1-12-5-3-4-6-15(12)18-22-21-17(25-18)9-10-20-26(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,20H,9-10H2,1-2H3
InChIKeyJZPBOFPCFYXQOG-UHFFFAOYSA-N
XLogP3.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (CID 110321246) is 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3C)o2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is JZPBOFPCFYXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-12-5-3-4-6-15(12)18-22-21-17(25-18)9-10-20-26(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).