N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide

C18H22Cl2N4O2S — CID 133463706

IUPACN-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CCCN(c2cnc3cc(Cl)c(Cl)cc3n2)C1
InChIInChI=1S/C18H22Cl2N4O2S/c19-14-8-16-17(9-15(14)20)22-18(10-21-16)24-7-3-6-13(11-24)27(25,26)23-12-4-1-2-5-12/h8-10,12-13,23H,1-7,11H2
InChIKeyKDBASMHSLCIXGU-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.77
Rot. Bonds4

About N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide

N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide (PubChem CID 133463706) has the molecular formula C18H22Cl2N4O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide
PubChem CID133463706
Molecular FormulaC18H22Cl2N4O2S
Molecular Weight429.37 g/mol
Exact Mass428.08
IUPAC NameN-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CCCN(c2cnc3cc(Cl)c(Cl)cc3n2)C1
InChIInChI=1S/C18H22Cl2N4O2S/c19-14-8-16-17(9-15(14)20)22-18(10-21-16)24-7-3-6-13(11-24)27(25,26)23-12-4-1-2-5-12/h8-10,12-13,23H,1-7,11H2
InChIKeyKDBASMHSLCIXGU-UHFFFAOYSA-N
XLogP3.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopentyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-sulfonamide
CID 97348278
N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 155942655
1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 86789283
N-(1-pyrazin-2-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829489
1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051206
(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
1-[2-(2-chlorophenyl)acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 126767287
6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline
CID 167288482
6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409920
(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
CID 97348515
cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125120065

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide (CID 133463706) is N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide is O=S(=O)(NC1CCCC1)C1CCCN(c2cnc3cc(Cl)c(Cl)cc3n2)C1.
What is the InChIKey of N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide?
The InChIKey is KDBASMHSLCIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2S/c19-14-8-16-17(9-15(14)20)22-18(10-21-16)24-7-3-6-13(11-24)27(25,26)23-12-4-1-2-5-12/h8-10,12-13,23H,1-7,11H2.
What are the key properties of N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide?
N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide has a molecular weight of 429.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 133463706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).