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

C18H23N3O3S — CID 130448288

IUPAC4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(C2CCCC2)n1
InChIInChI=1S/C18H23N3O3S/c1-18(2)14(11-7-9-13(10-8-11)25(19,22)23)15(18)16-20-17(24-21-16)12-5-3-4-6-12/h7-10,12,14-15H,3-6H2,1-2H3,(H2,19,22,23)/t14-,15+/m0/s1
InChIKeyOUSANCUVLOSJHW-LSDHHAIUSA-N
MW361.47 g/mol
LogP3.28
Rot. Bonds4

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

4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 130448288) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID130448288
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(C2CCCC2)n1
InChIInChI=1S/C18H23N3O3S/c1-18(2)14(11-7-9-13(10-8-11)25(19,22)23)15(18)16-20-17(24-21-16)12-5-3-4-6-12/h7-10,12,14-15H,3-6H2,1-2H3,(H2,19,22,23)/t14-,15+/m0/s1
InChIKeyOUSANCUVLOSJHW-LSDHHAIUSA-N
XLogP3.28
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.28
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-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 130448288) is 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1noc(C2CCCC2)n1.
What is the InChIKey of 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is OUSANCUVLOSJHW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2)14(11-7-9-13(10-8-11)25(19,22)23)15(18)16-20-17(24-21-16)12-5-3-4-6-12/h7-10,12,14-15H,3-6H2,1-2H3,(H2,19,22,23)/t14-,15+/m0/s1.
What are the key properties of 4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.28, 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-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).