2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

C25H22ClN3O3S — CID 55369602

IUPAC2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C25H22ClN3O3S/c1-16(17-9-13-20(14-10-17)33(27,31)32)29(2)25(30)22-15-24(18-7-11-19(26)12-8-18)28-23-6-4-3-5-21(22)23/h3-16H,1-2H3,(H2,27,31,32)
InChIKeyKJHNNVIMCSKPSY-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.04
Rot. Bonds5

About 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 55369602) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID55369602
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C25H22ClN3O3S/c1-16(17-9-13-20(14-10-17)33(27,31)32)29(2)25(30)22-15-24(18-7-11-19(26)12-8-18)28-23-6-4-3-5-21(22)23/h3-16H,1-2H3,(H2,27,31,32)
InChIKeyKJHNNVIMCSKPSY-UHFFFAOYSA-N
XLogP5.04
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540352
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 46635368
N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 55369602) is 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KJHNNVIMCSKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-16(17-9-13-20(14-10-17)33(27,31)32)29(2)25(30)22-15-24(18-7-11-19(26)12-8-18)28-23-6-4-3-5-21(22)23/h3-16H,1-2H3,(H2,27,31,32).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 55369602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).