4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide

C17H20N2O3S — CID 130448493

IUPAC4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(C3CCCC3)co2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-16(10-22-17)12-3-1-2-4-12/h5-8,10,12,14-15H,1-4,9H2,(H2,18,20,21)/t14-,15+/m0/s1
InChIKeyBUGOMLONKPACGR-LSDHHAIUSA-N
MW332.42 g/mol
LogP3.25
Rot. Bonds4

About 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide (PubChem CID 130448493) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide
PubChem CID130448493
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(C3CCCC3)co2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-16(10-22-17)12-3-1-2-4-12/h5-8,10,12,14-15H,1-4,9H2,(H2,18,20,21)/t14-,15+/m0/s1
InChIKeyBUGOMLONKPACGR-LSDHHAIUSA-N
XLogP3.25
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide with MolForge

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Related Compounds

4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide
CID 151230206
4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
CID 130448723
CID 67861960
CID 67861960
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130466695
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
4-[(1R,2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)cyclopropyl]benzenesulfonamide
CID 153326424
4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
CID 139461985
4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
CID 153326402
4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448310
4-[(1S,2S)-2-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448190
4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
CID 151395921
3-cyclopentyl-1,2-oxazole-5-sulfonamide
CID 167728142

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide (CID 130448493) is 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(C3CCCC3)co2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is BUGOMLONKPACGR-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20N2O3S/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-16(10-22-17)12-3-1-2-4-12/h5-8,10,12,14-15H,1-4,9H2,(H2,18,20,21)/t14-,15+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide has a molecular weight of 332.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).