N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide

C17H20ClN3O2S — CID 155942655

IUPACN-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ccc3cc(Cl)ccc3n2)C1)C1CC1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-7-16-12(10-13)3-8-17(19-16)21-9-1-2-14(11-21)20-24(22,23)15-5-6-15/h3-4,7-8,10,14-15,20H,1-2,5-6,9,11H2
InChIKeyOHNLPDBPPSBTHV-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide

N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 155942655) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
PubChem CID155942655
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ccc3cc(Cl)ccc3n2)C1)C1CC1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-7-16-12(10-13)3-8-17(19-16)21-9-1-2-14(11-21)20-24(22,23)15-5-6-15/h3-4,7-8,10,14-15,20H,1-2,5-6,9,11H2
InChIKeyOHNLPDBPPSBTHV-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide (CID 155942655) is N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCCN(c2ccc3cc(Cl)ccc3n2)C1)C1CC1.
What is the InChIKey of N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is OHNLPDBPPSBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-13-4-7-16-12(10-13)3-8-17(19-16)21-9-1-2-14(11-21)20-24(22,23)15-5-6-15/h3-4,7-8,10,14-15,20H,1-2,5-6,9,11H2.
What are the key properties of N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide?
N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 365.89 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 155942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).