2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H18ClN3O3S2 — CID 25434513

IUPAC2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(21-12)13-7-9-14(20)10-8-13)18(24)22-15-5-4-6-16(11-15)28(25,26)23(2)3/h4-11H,1-3H3,(H,22,24)
InChIKeyYHZKZZWOACFROC-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 25434513) has the molecular formula C19H18ClN3O3S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID25434513
Molecular FormulaC19H18ClN3O3S2
Molecular Weight435.96 g/mol
Exact Mass435.05
IUPAC Name2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(21-12)13-7-9-14(20)10-8-13)18(24)22-15-5-4-6-16(11-15)28(25,26)23(2)3/h4-11H,1-3H3,(H,22,24)
InChIKeyYHZKZZWOACFROC-UHFFFAOYSA-N
XLogP4.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25497583
4-methyl-N-phenyl-2-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 60620632
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26721473
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55415381
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 25434513) is 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YHZKZZWOACFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(21-12)13-7-9-14(20)10-8-13)18(24)22-15-5-4-6-16(11-15)28(25,26)23(2)3/h4-11H,1-3H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25434513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).