4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C27H30ClN3O4S2 — CID 44949026

About 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949026) has the molecular formula C27H30ClN3O4S2 and a molecular weight of 560.14 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949026
• Molecular Formula: C27H30ClN3O4S2
• Molecular Weight: 560.14 g/mol
• Exact Mass: 559.14
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)cc1
• InChI: InChI=1S/C27H30ClN3O4S2/c1-18(2)15-30(16-19(3)4)37(33,34)23-10-7-20(8-11-23)26(32)31(17-22-6-5-13-35-22)27-29-24-12-9-21(28)14-25(24)36-27/h5-14,18-19H,15-17H2,1-4H3
• InChIKey: FVSDDCXXXAJDJY-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.14
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 44949026) is 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)cc1.

What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is FVSDDCXXXAJDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O4S2/c1-18(2)15-30(16-19(3)4)37(33,34)23-10-7-20(8-11-23)26(32)31(17-22-6-5-13-35-22)27-29-24-12-9-21(28)14-25(24)36-27/h5-14,18-19H,15-17H2,1-4H3.

What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 560.14 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).