N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C22H18ClN3O3S2 — CID 4989292

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)ccc1Cl
InChIInChI=1S/C22H18ClN3O3S2/c1-26(2)31(28,29)21-12-14(9-10-17(21)23)24-22(27)16-13-19(20-8-5-11-30-20)25-18-7-4-3-6-15(16)18/h3-13H,1-2H3,(H,24,27)
InChIKeyRGAQQFSOQVRNOL-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.12
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4989292) has the molecular formula C22H18ClN3O3S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4989292
Molecular FormulaC22H18ClN3O3S2
Molecular Weight471.99 g/mol
Exact Mass471.05
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)ccc1Cl
InChIInChI=1S/C22H18ClN3O3S2/c1-26(2)31(28,29)21-12-14(9-10-17(21)23)24-22(27)16-13-19(20-8-5-11-30-20)25-18-7-4-3-6-15(16)18/h3-13H,1-2H3,(H,24,27)
InChIKeyRGAQQFSOQVRNOL-UHFFFAOYSA-N
XLogP5.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 17431718
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2965579
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9145624
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 4989292) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is RGAQQFSOQVRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S2/c1-26(2)31(28,29)21-12-14(9-10-17(21)23)24-22(27)16-13-19(20-8-5-11-30-20)25-18-7-4-3-6-15(16)18/h3-13H,1-2H3,(H,24,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4989292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).