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

C19H24N2O3S — CID 130448310

IUPAC4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(C2CCCC2)on1
InChIInChI=1S/C19H24N2O3S/c1-19(2)17(13-7-9-14(10-8-13)25(20,22)23)18(19)15-11-16(24-21-15)12-5-3-4-6-12/h7-12,17-18H,3-6H2,1-2H3,(H2,20,22,23)/t17-,18-/m0/s1
InChIKeyUNKNNQFNMSPOAR-ROUUACIJSA-N
MW360.48 g/mol
LogP3.89
Rot. Bonds4

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

4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 130448310) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID130448310
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(C2CCCC2)on1
InChIInChI=1S/C19H24N2O3S/c1-19(2)17(13-7-9-14(10-8-13)25(20,22)23)18(19)15-11-16(24-21-15)12-5-3-4-6-12/h7-12,17-18H,3-6H2,1-2H3,(H2,20,22,23)/t17-,18-/m0/s1
InChIKeyUNKNNQFNMSPOAR-ROUUACIJSA-N
XLogP3.89
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 130448310) is 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(C2CCCC2)on1.
What is the InChIKey of 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is UNKNNQFNMSPOAR-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2)17(13-7-9-14(10-8-13)25(20,22)23)18(19)15-11-16(24-21-15)12-5-3-4-6-12/h7-12,17-18H,3-6H2,1-2H3,(H2,20,22,23)/t17-,18-/m0/s1.
What are the key properties of 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).