5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide

C17H16Cl2N4O3S — CID 133463044

IUPAC5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H16Cl2N4O3S/c1-26-15-3-2-10(6-16(15)27(20,24)25)4-5-21-17-9-22-13-7-11(18)12(19)8-14(13)23-17/h2-3,6-9H,4-5H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyYKQPRWCENOWARE-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.25
Rot. Bonds6

About 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide

5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 133463044) has the molecular formula C17H16Cl2N4O3S and a molecular weight of 427.31 g/mol. Its IUPAC name is 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
PubChem CID133463044
Molecular FormulaC17H16Cl2N4O3S
Molecular Weight427.31 g/mol
Exact Mass426.03
IUPAC Name5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H16Cl2N4O3S/c1-26-15-3-2-10(6-16(15)27(20,24)25)4-5-21-17-9-22-13-7-11(18)12(19)8-14(13)23-17/h2-3,6-9H,4-5H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyYKQPRWCENOWARE-UHFFFAOYSA-N
XLogP3.25
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133462312
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
CID 120971940
2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
CID 133423878
N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463157
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide
CID 167288063
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide (CID 133463044) is 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide is COc1ccc(CCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is YKQPRWCENOWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S/c1-26-15-3-2-10(6-16(15)27(20,24)25)4-5-21-17-9-22-13-7-11(18)12(19)8-14(13)23-17/h2-3,6-9H,4-5H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 427.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 133463044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).