N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide

C18H15ClN2O3S2 — CID 7295218

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-2-26(23,24)15-5-3-4-13(10-15)17(22)21-18-20-16(11-25-18)12-6-8-14(19)9-7-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeySRCUCWBQILVJBR-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.51
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide (PubChem CID 7295218) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
PubChem CID7295218
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-2-26(23,24)15-5-3-4-13(10-15)17(22)21-18-20-16(11-25-18)12-6-8-14(19)9-7-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeySRCUCWBQILVJBR-UHFFFAOYSA-N
XLogP4.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
CID 1479354
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide (CID 7295218) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The InChIKey is SRCUCWBQILVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-2-26(23,24)15-5-3-4-13(10-15)17(22)21-18-20-16(11-25-18)12-6-8-14(19)9-7-12/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide has a molecular weight of 406.92 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide is sourced from PubChem (CID 7295218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).