[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate

C18H15ClN2O4S2 — CID 30937526

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O4S2/c1-27(23,24)21-13-8-6-12(7-9-13)18(22)25-10-14-11-26-17(20-14)15-4-2-3-5-16(15)19/h2-9,11,21H,10H2,1H3
InChIKeyFECMKGHHFDTEJG-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.19
Rot. Bonds6

About [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate (PubChem CID 30937526) has the molecular formula C18H15ClN2O4S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate
PubChem CID30937526
Molecular FormulaC18H15ClN2O4S2
Molecular Weight422.92 g/mol
Exact Mass422.02
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O4S2/c1-27(23,24)21-13-8-6-12(7-9-13)18(22)25-10-14-11-26-17(20-14)15-4-2-3-5-16(15)19/h2-9,11,21H,10H2,1H3
InChIKeyFECMKGHHFDTEJG-UHFFFAOYSA-N
XLogP4.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
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[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
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[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
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[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
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4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate (CID 30937526) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate?
The InChIKey is FECMKGHHFDTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S2/c1-27(23,24)21-13-8-6-12(7-9-13)18(22)25-10-14-11-26-17(20-14)15-4-2-3-5-16(15)19/h2-9,11,21H,10H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate has a molecular weight of 422.92 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate is sourced from PubChem (CID 30937526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).