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

C24H21ClN4O4S2 — CID 16803722

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 16803722) has the molecular formula C24H21ClN4O4S2 and a molecular weight of 529.04 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 16803722
• Molecular Formula: C24H21ClN4O4S2
• Molecular Weight: 529.04 g/mol
• Exact Mass: 528.07
• IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
• InChI: InChI=1S/C24H21ClN4O4S2/c25-20-5-3-6-21-22(20)27-24(34-21)29(16-18-4-1-2-11-26-18)23(30)17-7-9-19(10-8-17)35(31,32)28-12-14-33-15-13-28/h1-11H,12-16H2
• InChIKey: JWEPPWCLCRAZDB-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.04
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 16803722) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1.

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

The InChIKey is JWEPPWCLCRAZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S2/c25-20-5-3-6-21-22(20)27-24(34-21)29(16-18-4-1-2-11-26-18)23(30)17-7-9-19(10-8-17)35(31,32)28-12-14-33-15-13-28/h1-11H,12-16H2.

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 529.04 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 16803722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).