N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C21H22ClN3O4S2 — CID 41287677

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 41287677) has the molecular formula C21H22ClN3O4S2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 41287677
• Molecular Formula: C21H22ClN3O4S2
• Molecular Weight: 480.01 g/mol
• Exact Mass: 479.07
• IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)n2)cc1Cl
• InChI: InChI=1S/C21H22ClN3O4S2/c1-13(2)25(3)31(27,28)16-7-5-6-15(10-16)20(26)24-21-23-18(12-30-21)14-8-9-19(29-4)17(22)11-14/h5-13H,1-4H3,(H,23,24,26)
• InChIKey: QTRSQVXEPIUPGF-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.01
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 41287677) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)n2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The InChIKey is QTRSQVXEPIUPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S2/c1-13(2)25(3)31(27,28)16-7-5-6-15(10-16)20(26)24-21-23-18(12-30-21)14-8-9-19(29-4)17(22)11-14/h5-13H,1-4H3,(H,23,24,26).

What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 480.01 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 41287677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).