3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C19H18ClN3O5S2 — CID 2120898

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Cl
InChIInChI=1S/C19H18ClN3O5S2/c1-23(15-10-14(20)16(27-2)11-17(15)28-3)30(25,26)13-6-4-5-12(9-13)18(24)22-19-21-7-8-29-19/h4-11H,1-3H3,(H,21,22,24)
InChIKeyHTJXGUSJAXWKKE-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.89
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2120898) has the molecular formula C19H18ClN3O5S2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2120898
Molecular FormulaC19H18ClN3O5S2
Molecular Weight467.96 g/mol
Exact Mass467.04
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Cl
InChIInChI=1S/C19H18ClN3O5S2/c1-23(15-10-14(20)16(27-2)11-17(15)28-3)30(25,26)13-6-4-5-12(9-13)18(24)22-19-21-7-8-29-19/h4-11H,1-3H3,(H,21,22,24)
InChIKeyHTJXGUSJAXWKKE-UHFFFAOYSA-N
XLogP3.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 2120898) is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HTJXGUSJAXWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S2/c1-23(15-10-14(20)16(27-2)11-17(15)28-3)30(25,26)13-6-4-5-12(9-13)18(24)22-19-21-7-8-29-19/h4-11H,1-3H3,(H,21,22,24).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 467.96 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2120898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).