4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide

C18H20N2O2S — CID 151230206

IUPAC4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ccnc(C3CCC3)c2)cc1
InChIInChI=1S/C18H20N2O2S/c19-23(21,22)15-6-4-12(5-7-15)16-11-17(16)14-8-9-20-18(10-14)13-2-1-3-13/h4-10,13,16-17H,1-3,11H2,(H2,19,21,22)/t16-,17-/m0/s1
InChIKeyNOCVJHGRGVMTAX-IRXDYDNUSA-N
MW328.44 g/mol
LogP3.27
Rot. Bonds4

About 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide (PubChem CID 151230206) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide
PubChem CID151230206
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ccnc(C3CCC3)c2)cc1
InChIInChI=1S/C18H20N2O2S/c19-23(21,22)15-6-4-12(5-7-15)16-11-17(16)14-8-9-20-18(10-14)13-2-1-3-13/h4-10,13,16-17H,1-3,11H2,(H2,19,21,22)/t16-,17-/m0/s1
InChIKeyNOCVJHGRGVMTAX-IRXDYDNUSA-N
XLogP3.27
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide (CID 151230206) is 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2ccnc(C3CCC3)c2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide?
The InChIKey is NOCVJHGRGVMTAX-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20N2O2S/c19-23(21,22)15-6-4-12(5-7-15)16-11-17(16)14-8-9-20-18(10-14)13-2-1-3-13/h4-10,13,16-17H,1-3,11H2,(H2,19,21,22)/t16-,17-/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 151230206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).