4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide

C15H14F3N3O3S — CID 130448595

IUPAC4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2noc(C3(C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14(5-6-14)13-20-12(21-24-13)11-7-10(11)8-1-3-9(4-2-8)25(19,22)23/h1-4,10-11H,5-7H2,(H2,19,22,23)/t10-,11+/m0/s1
InChIKeyQLLKLJWAXHWFTM-WDEREUQCSA-N
MW373.36 g/mol
LogP2.58
Rot. Bonds4

About 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide (PubChem CID 130448595) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide
PubChem CID130448595
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2noc(C3(C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14(5-6-14)13-20-12(21-24-13)11-7-10(11)8-1-3-9(4-2-8)25(19,22)23/h1-4,10-11H,5-7H2,(H2,19,22,23)/t10-,11+/m0/s1
InChIKeyQLLKLJWAXHWFTM-WDEREUQCSA-N
XLogP2.58
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide (CID 130448595) is 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2noc(C3(C(F)(F)F)CC3)n2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is QLLKLJWAXHWFTM-WDEREUQCSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)14(5-6-14)13-20-12(21-24-13)11-7-10(11)8-1-3-9(4-2-8)25(19,22)23/h1-4,10-11H,5-7H2,(H2,19,22,23)/t10-,11+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide has a molecular weight of 373.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).