2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

C27H28ClN5O3S2 — CID 121041269

About 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 121041269) has the molecular formula C27H28ClN5O3S2 and a molecular weight of 570.14 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
• PubChem CID: 121041269
• Molecular Formula: C27H28ClN5O3S2
• Molecular Weight: 570.14 g/mol
• Exact Mass: 569.13
• IUPAC Name: 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
• SMILES: Cc1cccc2sc(N3CCN(CCNC(=O)c4ccccc4NS(=O)(=O)c4ccc(Cl)cc4)CC3)nc12
• InChI: InChI=1S/C27H28ClN5O3S2/c1-19-5-4-8-24-25(19)30-27(37-24)33-17-15-32(16-18-33)14-13-29-26(34)22-6-2-3-7-23(22)31-38(35,36)21-11-9-20(28)10-12-21/h2-12,31H,13-18H2,1H3,(H,29,34)
• InChIKey: LBFWZBVFOZNLHC-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.14
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (CID 121041269) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is Cc1cccc2sc(N3CCN(CCNC(=O)c4ccccc4NS(=O)(=O)c4ccc(Cl)cc4)CC3)nc12.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?

The InChIKey is LBFWZBVFOZNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3S2/c1-19-5-4-8-24-25(19)30-27(37-24)33-17-15-32(16-18-33)14-13-29-26(34)22-6-2-3-7-23(22)31-38(35,36)21-11-9-20(28)10-12-21/h2-12,31H,13-18H2,1H3,(H,29,34).

What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?

2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 570.14 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 121041269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).