3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C23H25ClN6O3S — CID 68650722

About 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68650722) has the molecular formula C23H25ClN6O3S and a molecular weight of 501.01 g/mol. Its IUPAC name is 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
• PubChem CID: 68650722
• Molecular Formula: C23H25ClN6O3S
• Molecular Weight: 501.01 g/mol
• Exact Mass: 500.14
• IUPAC Name: 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
• SMILES: Nc1ncc(-c2cccc(CNS(=O)(=O)c3ccc(Cl)cc3)c2)nc1C(=O)N[C@H]1CCCNC1
• InChI: InChI=1S/C23H25ClN6O3S/c24-17-6-8-19(9-7-17)34(32,33)28-12-15-3-1-4-16(11-15)20-14-27-22(25)21(30-20)23(31)29-18-5-2-10-26-13-18/h1,3-4,6-9,11,14,18,26,28H,2,5,10,12-13H2,(H2,25,27)(H,29,31)/t18-/m0/s1
• InChIKey: CDDGCGICJMEMEE-SFHVURJKSA-N
• XLogP: 2.34
• TPSA: 139.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.01
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68650722) is 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(CNS(=O)(=O)c3ccc(Cl)cc3)c2)nc1C(=O)N[C@H]1CCCNC1.

What is the InChIKey of 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The InChIKey is CDDGCGICJMEMEE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25ClN6O3S/c24-17-6-8-19(9-7-17)34(32,33)28-12-15-3-1-4-16(11-15)20-14-27-22(25)21(30-20)23(31)29-18-5-2-10-26-13-18/h1,3-4,6-9,11,14,18,26,28H,2,5,10,12-13H2,(H2,25,27)(H,29,31)/t18-/m0/s1.

What are the key properties of 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 501.01 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68650722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).