N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

C18H14Cl2N2O3S2 — CID 25494557

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-27(24,25)16-5-3-2-4-13(16)17(23)22-18-21-10-12(26-18)8-11-6-7-14(19)15(20)9-11/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChIKeyZZGQOXYKPDTZPG-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.70
Rot. Bonds5

About N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 25494557) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID25494557
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-27(24,25)16-5-3-2-4-13(16)17(23)22-18-21-10-12(26-18)8-11-6-7-14(19)15(20)9-11/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChIKeyZZGQOXYKPDTZPG-UHFFFAOYSA-N
XLogP4.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide
CID 4904458
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 46535722
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16580691
2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 42353845
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (CID 25494557) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is ZZGQOXYKPDTZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c1-27(24,25)16-5-3-2-4-13(16)17(23)22-18-21-10-12(26-18)8-11-6-7-14(19)15(20)9-11/h2-7,9-10H,8H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 441.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 25494557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).