N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide

C20H21N3O3S — CID 78812993

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccnc3ccccc23)c1C
InChIInChI=1S/C20H21N3O3S/c1-13-11-15(27(25,26)23(3)4)12-19(14(13)2)22-20(24)17-9-10-21-18-8-6-5-7-16(17)18/h5-12H,1-4H3,(H,22,24)
InChIKeyTYMUBVRDYFMWIR-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.35
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide (PubChem CID 78812993) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
PubChem CID78812993
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccnc3ccccc23)c1C
InChIInChI=1S/C20H21N3O3S/c1-13-11-15(27(25,26)23(3)4)12-19(14(13)2)22-20(24)17-9-10-21-18-8-6-5-7-16(17)18/h5-12H,1-4H3,(H,22,24)
InChIKeyTYMUBVRDYFMWIR-UHFFFAOYSA-N
XLogP3.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
CID 43040079
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963347
2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
CID 16545912
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide (CID 78812993) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccnc3ccccc23)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide?
The InChIKey is TYMUBVRDYFMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-11-15(27(25,26)23(3)4)12-19(14(13)2)22-20(24)17-9-10-21-18-8-6-5-7-16(17)18/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 78812993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).