5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide

C26H26BrCl2N3O3S — CID 166345163

IUPAC5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)c4cc(Br)ccc43)c(Cl)cc2Cl)cc1
InChIInChI=1S/C26H26BrCl2N3O3S/c1-3-4-5-17-6-9-19(10-7-17)30-36(34,35)25-15-20(21(28)16-22(25)29)26(33)32-13-12-31(2)24-14-18(27)8-11-23(24)32/h6-11,14-16,30H,3-5,12-13H2,1-2H3
InChIKeyYSGJNXGUBXBYGC-UHFFFAOYSA-N
MW611.39 g/mol
LogP7.00
Rot. Bonds7

About 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide

5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide (PubChem CID 166345163) has the molecular formula C26H26BrCl2N3O3S and a molecular weight of 611.39 g/mol. Its IUPAC name is 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide
PubChem CID166345163
Molecular FormulaC26H26BrCl2N3O3S
Molecular Weight611.39 g/mol
Exact Mass609.03
IUPAC Name5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)c4cc(Br)ccc43)c(Cl)cc2Cl)cc1
InChIInChI=1S/C26H26BrCl2N3O3S/c1-3-4-5-17-6-9-19(10-7-17)30-36(34,35)25-15-20(21(28)16-22(25)29)26(33)32-13-12-31(2)24-14-18(27)8-11-23(24)32/h6-11,14-16,30H,3-5,12-13H2,1-2H3
InChIKeyYSGJNXGUBXBYGC-UHFFFAOYSA-N
XLogP7.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.39
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide with MolForge

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Related Compounds

N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
5-bromo-2-[(4-butylphenyl)sulfamoyl]benzoic acid
CID 75479260
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
CID 63422557
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide?
The IUPAC name of 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide (CID 166345163) is 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)c4cc(Br)ccc43)c(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide?
The InChIKey is YSGJNXGUBXBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrCl2N3O3S/c1-3-4-5-17-6-9-19(10-7-17)30-36(34,35)25-15-20(21(28)16-22(25)29)26(33)32-13-12-31(2)24-14-18(27)8-11-23(24)32/h6-11,14-16,30H,3-5,12-13H2,1-2H3.
What are the key properties of 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide?
5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide has a molecular weight of 611.39 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-N-(4-butylphenyl)-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 166345163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).