2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide

C22H25FN4O3S — CID 92899978

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H25FN4O3S/c1-16-7-4-5-13-27(16)14-12-24-31(28,29)20-11-3-2-10-19(20)22-25-21(26-30-22)17-8-6-9-18(23)15-17/h2-3,6,8-11,15-16,24H,4-5,7,12-14H2,1H3/t16-/m1/s1
InChIKeyMPQVCICHDHRVRZ-MRXNPFEDSA-N
MW444.53 g/mol
LogP3.70
Rot. Bonds7

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 92899978) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID92899978
Molecular FormulaC22H25FN4O3S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H25FN4O3S/c1-16-7-4-5-13-27(16)14-12-24-31(28,29)20-11-3-2-10-19(20)22-25-21(26-30-22)17-8-6-9-18(23)15-17/h2-3,6,8-11,15-16,24H,4-5,7,12-14H2,1H3/t16-/m1/s1
InChIKeyMPQVCICHDHRVRZ-MRXNPFEDSA-N
XLogP3.70
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide (CID 92899978) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide is C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is MPQVCICHDHRVRZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-16-7-4-5-13-27(16)14-12-24-31(28,29)20-11-3-2-10-19(20)22-25-21(26-30-22)17-8-6-9-18(23)15-17/h2-3,6,8-11,15-16,24H,4-5,7,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 444.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 92899978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).