4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide

C17H20N2O2S2 — CID 130448723

IUPAC4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ncc(C3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O2S2/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-10-16(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
InChIKeyQWDQWUQIFCAWJR-LSDHHAIUSA-N
MW348.49 g/mol
LogP3.72
Rot. Bonds4

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

4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide (PubChem CID 130448723) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
PubChem CID130448723
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ncc(C3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O2S2/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-10-16(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
InChIKeyQWDQWUQIFCAWJR-LSDHHAIUSA-N
XLogP3.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide (CID 130448723) is 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ncc(C3CCCC3)s2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is QWDQWUQIFCAWJR-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c18-23(20,21)13-7-5-11(6-8-13)14-9-15(14)17-19-10-16(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-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 3.72, 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-(5-cyclopentyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).