N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C26H29Cl2N5O4S2 — CID 169430793

About N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 169430793) has the molecular formula C26H29Cl2N5O4S2 and a molecular weight of 610.59 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
• PubChem CID: 169430793
• Molecular Formula: C26H29Cl2N5O4S2
• Molecular Weight: 610.59 g/mol
• Exact Mass: 609.10
• IUPAC Name: N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
• SMILES: COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2CCCNC2)c1.Cl
• InChI: InChI=1S/C26H28ClN5O4S2.ClH/c1-36-21-9-3-8-20-24(21)25(31-38(34,35)23-11-10-22(27)37-23)30-32(20)16-18-6-2-5-17(13-18)14-29-26(33)19-7-4-12-28-15-19;/h2-3,5-6,8-11,13,19,28H,4,7,12,14-16H2,1H3,(H,29,33)(H,30,31);1H
• InChIKey: ICZDLDKYWPDMEA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.59
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?

The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 169430793) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?

The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2CCCNC2)c1.Cl.

What is the InChIKey of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?

The InChIKey is ICZDLDKYWPDMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4S2.ClH/c1-36-21-9-3-8-20-24(21)25(31-38(34,35)23-11-10-22(27)37-23)30-32(20)16-18-6-2-5-17(13-18)14-29-26(33)19-7-4-12-28-15-19;/h2-3,5-6,8-11,13,19,28H,4,7,12,14-16H2,1H3,(H,29,33)(H,30,31);1H.

What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride?

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 610.59 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 169430793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).