4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide

C16H17F2N3O3S — CID 130448421

IUPAC4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2[C@@H](c3nc(C4CCCC4)no3)C2(F)F)cc1
InChIInChI=1S/C16H17F2N3O3S/c17-16(18)12(9-5-7-11(8-6-9)25(19,22)23)13(16)15-20-14(21-24-15)10-3-1-2-4-10/h5-8,10,12-13H,1-4H2,(H2,19,22,23)/t12-,13+/m1/s1
InChIKeySIEBWUSEYBMQGS-OLZOCXBDSA-N
MW369.39 g/mol
LogP2.89
Rot. Bonds4

About 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide

4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide (PubChem CID 130448421) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide
PubChem CID130448421
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2[C@@H](c3nc(C4CCCC4)no3)C2(F)F)cc1
InChIInChI=1S/C16H17F2N3O3S/c17-16(18)12(9-5-7-11(8-6-9)25(19,22)23)13(16)15-20-14(21-24-15)10-3-1-2-4-10/h5-8,10,12-13H,1-4H2,(H2,19,22,23)/t12-,13+/m1/s1
InChIKeySIEBWUSEYBMQGS-OLZOCXBDSA-N
XLogP2.89
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide (CID 130448421) is 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2[C@@H](c3nc(C4CCCC4)no3)C2(F)F)cc1.
What is the InChIKey of 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide?
The InChIKey is SIEBWUSEYBMQGS-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c17-16(18)12(9-5-7-11(8-6-9)25(19,22)23)13(16)15-20-14(21-24-15)10-3-1-2-4-10/h5-8,10,12-13H,1-4H2,(H2,19,22,23)/t12-,13+/m1/s1.
What are the key properties of 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide?
4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide has a molecular weight of 369.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-difluorocyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).