5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

C27H26ClF2N5O5S — CID 171465914

About 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 171465914) has the molecular formula C27H26ClF2N5O5S and a molecular weight of 606.05 g/mol. Its IUPAC name is 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
• PubChem CID: 171465914
• Molecular Formula: C27H26ClF2N5O5S
• Molecular Weight: 606.05 g/mol
• Exact Mass: 605.13
• IUPAC Name: 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
• SMILES: CNC(=O)c1cc(CCc2c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c2F)n(Cc2ccc(OC)cc2)n1
• InChI: InChI=1S/C27H26ClF2N5O5S/c1-31-26(36)23-13-18(35(33-23)15-16-4-7-19(39-2)8-5-16)6-9-20-21(29)10-11-22(25(20)30)34-41(37,38)24-12-17(28)14-32-27(24)40-3/h4-5,7-8,10-14,34H,6,9,15H2,1-3H3,(H,31,36)
• InChIKey: MXBOWAIKPRUJHC-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.05
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?

The IUPAC name of 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (CID 171465914) is 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?

The canonical SMILES for 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(CCc2c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c2F)n(Cc2ccc(OC)cc2)n1.

What is the InChIKey of 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?

The InChIKey is MXBOWAIKPRUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N5O5S/c1-31-26(36)23-13-18(35(33-23)15-16-4-7-19(39-2)8-5-16)6-9-20-21(29)10-11-22(25(20)30)34-41(37,38)24-12-17(28)14-32-27(24)40-3/h4-5,7-8,10-14,34H,6,9,15H2,1-3H3,(H,31,36).

What are the key properties of 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?

5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 606.05 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).