4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide

C20H20FN5O4S — CID 92558955

IUPAC4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)c1
InChIInChI=1S/C20H20FN5O4S/c1-12-3-4-13(10-23-12)18-24-25-19(30-18)14-7-8-26(11-14)20(27)16-9-15(5-6-17(16)21)31(28,29)22-2/h3-6,9-10,14,22H,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyADJWLZNWEZRTCM-CQSZACIVSA-N
MW445.48 g/mol
LogP2.12
Rot. Bonds5

About 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide

4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 92558955) has the molecular formula C20H20FN5O4S and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID92558955
Molecular FormulaC20H20FN5O4S
Molecular Weight445.48 g/mol
Exact Mass445.12
IUPAC Name4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)c1
InChIInChI=1S/C20H20FN5O4S/c1-12-3-4-13(10-23-12)18-24-25-19(30-18)14-7-8-26(11-14)20(27)16-9-15(5-6-17(16)21)31(28,29)22-2/h3-6,9-10,14,22H,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyADJWLZNWEZRTCM-CQSZACIVSA-N
XLogP2.12
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526884
{[3-(5-(3-Pyridyl)-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}piperidine
CID 1117979
3-{5-[5-(hydrazinocarbonyl)-2,6-dimethylpyridin-3-yl]-1,3,4-oxadiazol-2-yl}-N,N-dimethylbenzenesulfonamide
CID 24747978
3-(5-{3-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 1293454
2-(4-Fluorobenzenesulfonyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912505
2-(2-Fluorobenzenesulfonyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912527
2-(3-Fluorobenzenesulfonyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912533
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060697
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060698
3-fluoro-2,2-dimethyl-N-[3-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060705
3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060714
3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060715

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide (CID 92558955) is 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ADJWLZNWEZRTCM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN5O4S/c1-12-3-4-13(10-23-12)18-24-25-19(30-18)14-7-8-26(11-14)20(27)16-9-15(5-6-17(16)21)31(28,29)22-2/h3-6,9-10,14,22H,7-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide?
4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 445.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 92558955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).