2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide

C24H19Cl2N3O4S — CID 118522054

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(Cl)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(S(N)(=O)=O)c1C
InChIInChI=1S/C24H19Cl2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyNVGCSMSOLCZIEP-UHFFFAOYSA-N
MW516.41 g/mol
LogP5.85
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide

2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 118522054) has the molecular formula C24H19Cl2N3O4S and a molecular weight of 516.41 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID118522054
Molecular FormulaC24H19Cl2N3O4S
Molecular Weight516.41 g/mol
Exact Mass515.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(Cl)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(S(N)(=O)=O)c1C
InChIInChI=1S/C24H19Cl2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32)
InChIKeyNVGCSMSOLCZIEP-UHFFFAOYSA-N
XLogP5.85
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.41
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide
CID 118522048
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
CID 123775354
5-chloro-N-(2,3-dimethylphenyl)-2-hydrazinylbenzamide
CID 62241246
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 2276469
5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3894691

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide (CID 118522054) is 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide is Cc1cc(Cl)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(S(N)(=O)=O)c1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is NVGCSMSOLCZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4S/c1-13-11-16(25)7-10-21(13)33-24-17(12-15-5-3-4-6-20(15)29-24)23(30)28-19-9-8-18(26)22(14(19)2)34(27,31)32/h3-12H,1-2H3,(H,28,30)(H2,27,31,32).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 516.41 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 118522054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).