5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide

C27H26ClN5O4S — CID 164622172

IUPAC5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
SMILESCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12
InChIInChI=1S/C27H26ClN5O4S/c1-5-6-25-30-31-26-27(29-21-13-16(2)17(3)14-22(21)33(25)26)37-20-10-8-19(9-11-20)32-38(34,35)24-15-18(28)7-12-23(24)36-4/h7-15,32H,5-6H2,1-4H3
InChIKeyQALCGQUMECIAMX-UHFFFAOYSA-N
MW552.06 g/mol
LogP6.10
Rot. Bonds8

About 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide

5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide (PubChem CID 164622172) has the molecular formula C27H26ClN5O4S and a molecular weight of 552.06 g/mol. Its IUPAC name is 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
PubChem CID164622172
Molecular FormulaC27H26ClN5O4S
Molecular Weight552.06 g/mol
Exact Mass551.14
IUPAC Name5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
SMILESCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12
InChIInChI=1S/C27H26ClN5O4S/c1-5-6-25-30-31-26-27(29-21-13-16(2)17(3)14-22(21)33(25)26)37-20-10-8-19(9-11-20)32-38(34,35)24-15-18(28)7-12-23(24)36-4/h7-15,32H,5-6H2,1-4H3
InChIKeyQALCGQUMECIAMX-UHFFFAOYSA-N
XLogP6.10
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.06
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
5-chloro-2-methoxy-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122296241
5-chloro-2-methoxy-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
CID 22432423
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
2-methoxy-5-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309320
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide (CID 164622172) is 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide is CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12.
What is the InChIKey of 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide?
The InChIKey is QALCGQUMECIAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O4S/c1-5-6-25-30-31-26-27(29-21-13-16(2)17(3)14-22(21)33(25)26)37-20-10-8-19(9-11-20)32-38(34,35)24-15-18(28)7-12-23(24)36-4/h7-15,32H,5-6H2,1-4H3.
What are the key properties of 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide has a molecular weight of 552.06 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 164622172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).