4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C26H20ClN3O4S2 — CID 44949484

About 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949484) has the molecular formula C26H20ClN3O4S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949484
• Molecular Formula: C26H20ClN3O4S2
• Molecular Weight: 538.05 g/mol
• Exact Mass: 537.06
• IUPAC Name: 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12
• InChI: InChI=1S/C26H20ClN3O4S2/c1-17-9-14-22(27)24-23(17)28-26(35-24)30(16-20-6-5-15-34-20)25(31)18-10-12-19(13-11-18)29-36(32,33)21-7-3-2-4-8-21/h2-15,29H,16H2,1H3
• InChIKey: NNLVYMGMKCRWSE-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.05
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 44949484) is 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12.

What is the InChIKey of 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is NNLVYMGMKCRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4S2/c1-17-9-14-22(27)24-23(17)28-26(35-24)30(16-20-6-5-15-34-20)25(31)18-10-12-19(13-11-18)29-36(32,33)21-7-3-2-4-8-21/h2-15,29H,16H2,1H3.

What are the key properties of 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 538.05 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).