N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide

C17H16Cl2N4O3S — CID 133463157

IUPACN-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C17H16Cl2N4O3S/c1-27(24,25)23-11-2-4-12(5-3-11)26-7-6-20-17-10-21-15-8-13(18)14(19)9-16(15)22-17/h2-5,8-10,23H,6-7H2,1H3,(H,20,22)
InChIKeyFERUURBUHKMRSQ-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide

N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide (PubChem CID 133463157) has the molecular formula C17H16Cl2N4O3S and a molecular weight of 427.31 g/mol. Its IUPAC name is N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
PubChem CID133463157
Molecular FormulaC17H16Cl2N4O3S
Molecular Weight427.31 g/mol
Exact Mass426.03
IUPAC NameN-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C17H16Cl2N4O3S/c1-27(24,25)23-11-2-4-12(5-3-11)26-7-6-20-17-10-21-15-8-13(18)14(19)9-16(15)22-17/h2-5,8-10,23H,6-7H2,1H3,(H,20,22)
InChIKeyFERUURBUHKMRSQ-UHFFFAOYSA-N
XLogP3.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide
CID 133452228
N-[2-(4-methylsulfonylphenoxy)ethyl]quinoxalin-2-amine
CID 56781418
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
CID 120705717
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-[4-(6-chloroquinoxalin-2-yl)phenyl]methanesulfonamide
CID 159141337
6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 151725851
N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463158
4-N-(3-chloro-4-methylphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875854

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide (CID 133463157) is N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCCNc2cnc3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The InChIKey is FERUURBUHKMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)23-11-2-4-12(5-3-11)26-7-6-20-17-10-21-15-8-13(18)14(19)9-16(15)22-17/h2-5,8-10,23H,6-7H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide has a molecular weight of 427.31 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 133463157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).