methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate

C17H14ClN3O5S — CID 59353036

IUPACmethyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C17H14ClN3O5S/c1-25-15(22)10-26-11-6-8-12(9-7-11)27(23,24)21-17-16(18)19-13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyHXCDVXCICUZSKA-UHFFFAOYSA-N
MW407.84 g/mol
LogP2.64
Rot. Bonds6

About methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate (PubChem CID 59353036) has the molecular formula C17H14ClN3O5S and a molecular weight of 407.84 g/mol. Its IUPAC name is methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
PubChem CID59353036
Molecular FormulaC17H14ClN3O5S
Molecular Weight407.84 g/mol
Exact Mass407.03
IUPAC Namemethyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C17H14ClN3O5S/c1-25-15(22)10-26-11-6-8-12(9-7-11)27(23,24)21-17-16(18)19-13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyHXCDVXCICUZSKA-UHFFFAOYSA-N
XLogP2.64
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
methyl 3-[(3-chloroquinoxalin-2-yl)sulfamoyl]propanoate
CID 102990394
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 139450244
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
CID 102990345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate (CID 59353036) is methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate?
The InChIKey is HXCDVXCICUZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5S/c1-25-15(22)10-26-11-6-8-12(9-7-11)27(23,24)21-17-16(18)19-13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate has a molecular weight of 407.84 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 59353036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).