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

C16H20FN3O3S — CID 154767788

IUPAC4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide
SMILESCc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3C)C2)o1
InChIInChI=1S/C16H20FN3O3S/c1-10-7-13(17)4-6-15(10)24(21,22)20-14-5-3-12(8-14)9-16-19-18-11(2)23-16/h4,6-7,12,14,20H,3,5,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKeyXEYZPOHVHNUWAJ-OCCSQVGLSA-N
MW353.42 g/mol
LogP2.52
Rot. Bonds5

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

4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide (PubChem CID 154767788) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide
PubChem CID154767788
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide
SMILESCc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3C)C2)o1
InChIInChI=1S/C16H20FN3O3S/c1-10-7-13(17)4-6-15(10)24(21,22)20-14-5-3-12(8-14)9-16-19-18-11(2)23-16/h4,6-7,12,14,20H,3,5,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKeyXEYZPOHVHNUWAJ-OCCSQVGLSA-N
XLogP2.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322240
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 146078574
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
2-[(1R,3S)-3-[(4-ethoxy-2-methylphenyl)sulfonylamino]cyclopentyl]acetic acid
CID 164633122
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43597451

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide (CID 154767788) is 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide is Cc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3C)C2)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide?
The InChIKey is XEYZPOHVHNUWAJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-10-7-13(17)4-6-15(10)24(21,22)20-14-5-3-12(8-14)9-16-19-18-11(2)23-16/h4,6-7,12,14,20H,3,5,8-9H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.52, 5 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-[(1S,3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 154767788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).