1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline

C16H17ClN2O3S — CID 46382919

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17ClN2O3S/c1-18-9-10-19(14-6-4-3-5-13(14)18)23(20,21)16-11-12(17)7-8-15(16)22-2/h3-8,11H,9-10H2,1-2H3
InChIKeyPYQQYFDRKYECET-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.99
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline

1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline (PubChem CID 46382919) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
PubChem CID46382919
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17ClN2O3S/c1-18-9-10-19(14-6-4-3-5-13(14)18)23(20,21)16-11-12(17)7-8-15(16)22-2/h3-8,11H,9-10H2,1-2H3
InChIKeyPYQQYFDRKYECET-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
1-[(5-Chloro-2-ethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1179548
1-(5-Chloro-2-ethoxybenzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
CID 1290133
1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280662
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-methoxyphenyl)propanamide
CID 3236122
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 9550215
1-{1-[(3-Chlorophenyl)sulfonyl]-3-piperidinyl}-4-(2-methoxyphenyl)piperazine
CID 24790787
1-(4-Chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1076575
1-(3-Chlorophenyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1260303
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazino]cyclohexyl]benzenesulfonamide
CID 23604968
2-[4-(5-Chloro-2-methoxybenzenesulfonyl)piperazin-1-YL]-N-(2,4-difluorophenyl)acetamide
CID 5093118
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 126479965

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline (CID 46382919) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is PYQQYFDRKYECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-18-9-10-19(14-6-4-3-5-13(14)18)23(20,21)16-11-12(17)7-8-15(16)22-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 352.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 46382919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).