N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C19H18FN3O3S — CID 162346166

IUPACN-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@H](c2noc(-c3cccc(F)c3)n2)[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)15(16(19)23-27(24,25)14-9-4-3-5-10-14)17-21-18(26-22-17)12-7-6-8-13(20)11-12/h3-11,15-16,23H,1-2H3/t15-,16-/m0/s1
InChIKeyMJIYNFQNBYKBOK-HOTGVXAUSA-N
MW387.44 g/mol
LogP3.35
Rot. Bonds5

About N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 162346166) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID162346166
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@H](c2noc(-c3cccc(F)c3)n2)[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)15(16(19)23-27(24,25)14-9-4-3-5-10-14)17-21-18(26-22-17)12-7-6-8-13(20)11-12/h3-11,15-16,23H,1-2H3/t15-,16-/m0/s1
InChIKeyMJIYNFQNBYKBOK-HOTGVXAUSA-N
XLogP3.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 162346166) is N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)[C@H](c2noc(-c3cccc(F)c3)n2)[C@@H]1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is MJIYNFQNBYKBOK-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-19(2)15(16(19)23-27(24,25)14-9-4-3-5-10-14)17-21-18(26-22-17)12-7-6-8-13(20)11-12/h3-11,15-16,23H,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 162346166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).