4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide

C21H25N5O4S2 — CID 45499421

IUPAC4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cnc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C21H25N5O4S2/c22-31(27,28)17-6-4-16(5-7-17)10-11-23-21-15-24-20-14-18(8-9-19(20)25-21)32(29,30)26-12-2-1-3-13-26/h4-9,14-15H,1-3,10-13H2,(H,23,25)(H2,22,27,28)
InChIKeyMQFJJFDTYSMQSO-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.11
Rot. Bonds7

About 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 45499421) has the molecular formula C21H25N5O4S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID45499421
Molecular FormulaC21H25N5O4S2
Molecular Weight475.60 g/mol
Exact Mass475.13
IUPAC Name4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cnc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C21H25N5O4S2/c22-31(27,28)17-6-4-16(5-7-17)10-11-23-21-15-24-20-14-18(8-9-19(20)25-21)32(29,30)26-12-2-1-3-13-26/h4-9,14-15H,1-3,10-13H2,(H,23,25)(H2,22,27,28)
InChIKeyMQFJJFDTYSMQSO-UHFFFAOYSA-N
XLogP2.11
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide (CID 45499421) is 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cnc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1.
What is the InChIKey of 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is MQFJJFDTYSMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S2/c22-31(27,28)17-6-4-16(5-7-17)10-11-23-21-15-24-20-14-18(8-9-19(20)25-21)32(29,30)26-12-2-1-3-13-26/h4-9,14-15H,1-3,10-13H2,(H,23,25)(H2,22,27,28).
What are the key properties of 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 475.60 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 45499421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).