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

C18H18FN3O3S — CID 110322240

IUPAC4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
SMILESCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C18H18FN3O3S/c1-12-10-15(19)8-9-17(12)26(23,24)22-16(18-21-20-13(2)25-18)11-14-6-4-3-5-7-14/h3-10,16,22H,11H2,1-2H3
InChIKeyGYFHAJAXHJMAKJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.09
Rot. Bonds6

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

4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 110322240) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID110322240
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
SMILESCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C18H18FN3O3S/c1-12-10-15(19)8-9-17(12)26(23,24)22-16(18-21-20-13(2)25-18)11-14-6-4-3-5-7-14/h3-10,16,22H,11H2,1-2H3
InChIKeyGYFHAJAXHJMAKJ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
CID 110322181
4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide
CID 154767788
4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
CID 100692263
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide (CID 110322240) is 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide is Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is GYFHAJAXHJMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-12-10-15(19)8-9-17(12)26(23,24)22-16(18-21-20-13(2)25-18)11-14-6-4-3-5-7-14/h3-10,16,22H,11H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 110322240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).