4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide

C19H18FN3O3S — CID 130448699

IUPAC4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide
SMILESCC1(C)[C@H](c2nc(-c3ccccc3)no2)[C@H]1c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C19H18FN3O3S/c1-19(2)15(13-9-8-12(10-14(13)20)27(21,24)25)16(19)18-22-17(23-26-18)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H2,21,24,25)/t15-,16+/m1/s1
InChIKeyWBJZXACGQMAQOG-CVEARBPZSA-N
MW387.44 g/mol
LogP3.43
Rot. Bonds4

About 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide

4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide (PubChem CID 130448699) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide
PubChem CID130448699
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide
SMILESCC1(C)[C@H](c2nc(-c3ccccc3)no2)[C@H]1c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C19H18FN3O3S/c1-19(2)15(13-9-8-12(10-14(13)20)27(21,24)25)16(19)18-22-17(23-26-18)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H2,21,24,25)/t15-,16+/m1/s1
InChIKeyWBJZXACGQMAQOG-CVEARBPZSA-N
XLogP3.43
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide (CID 130448699) is 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide is CC1(C)[C@H](c2nc(-c3ccccc3)no2)[C@H]1c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide?
The InChIKey is WBJZXACGQMAQOG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-19(2)15(13-9-8-12(10-14(13)20)27(21,24)25)16(19)18-22-17(23-26-18)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3,(H2,21,24,25)/t15-,16+/m1/s1.
What are the key properties of 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide?
4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 130448699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).