N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C24H22N4O3S — CID 4877448

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H22N4O3S/c1-16-8-9-18(32(30,31)28(2)3)14-22(16)27-24(29)20-15-23(17-10-12-25-13-11-17)26-21-7-5-4-6-19(20)21/h4-15H,1-3H3,(H,27,29)
InChIKeyGGHXZNKRJDWDDI-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.11
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 4877448) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID4877448
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H22N4O3S/c1-16-8-9-18(32(30,31)28(2)3)14-22(16)27-24(29)20-15-23(17-10-12-25-13-11-17)26-21-7-5-4-6-19(20)21/h4-15H,1-3H3,(H,27,29)
InChIKeyGGHXZNKRJDWDDI-UHFFFAOYSA-N
XLogP4.11
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 4877448) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GGHXZNKRJDWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-8-9-18(32(30,31)28(2)3)14-22(16)27-24(29)20-15-23(17-10-12-25-13-11-17)26-21-7-5-4-6-19(20)21/h4-15H,1-3H3,(H,27,29).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4877448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).