N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

C25H23ClN4O3S2 — CID 43987774

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43987774) has the molecular formula C25H23ClN4O3S2 and a molecular weight of 527.07 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43987774
• Molecular Formula: C25H23ClN4O3S2
• Molecular Weight: 527.07 g/mol
• Exact Mass: 526.09
• IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
• InChI: InChI=1S/C25H23ClN4O3S2/c26-21-8-6-9-22-23(21)28-25(34-22)30(17-19-7-2-3-14-27-19)24(31)18-10-12-20(13-11-18)35(32,33)29-15-4-1-5-16-29/h2-3,6-14H,1,4-5,15-17H2
• InChIKey: GLQADJINKJJJTD-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 83.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.07
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 43987774) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1.

What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is GLQADJINKJJJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S2/c26-21-8-6-9-22-23(21)28-25(34-22)30(17-19-7-2-3-14-27-19)24(31)18-10-12-20(13-11-18)35(32,33)29-15-4-1-5-16-29/h2-3,6-14H,1,4-5,15-17H2.

What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 527.07 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43987774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).