[2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid

C22H17ClF3N5O6S — CID 143610414

About [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid

[2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid (PubChem CID 143610414) has the molecular formula C22H17ClF3N5O6S and a molecular weight of 571.92 g/mol. Its IUPAC name is [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid.

Molecular Properties

• Compound Name: [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid
• PubChem CID: 143610414
• Molecular Formula: C22H17ClF3N5O6S
• Molecular Weight: 571.92 g/mol
• Exact Mass: 571.05
• IUPAC Name: [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid
• SMILES: Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(NC(=O)CNC(=O)O)c2)cc1C(F)(F)F
• InChI: InChI=1S/C22H17ClF3N5O6S/c1-11-2-3-14(8-15(11)22(24,25)26)38(36,37)31-16-7-13(23)9-28-19(16)20(33)12-4-5-27-17(6-12)30-18(32)10-29-21(34)35/h2-9,29,31H,10H2,1H3,(H,34,35)(H,27,30,32)
• InChIKey: XIVJGPWSMCRSKN-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 167.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.92
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid?

The IUPAC name of [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid (CID 143610414) is [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid.

What is the SMILES notation for [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid?

The canonical SMILES for [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid is Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(NC(=O)CNC(=O)O)c2)cc1C(F)(F)F.

What is the InChIKey of [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid?

The InChIKey is XIVJGPWSMCRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O6S/c1-11-2-3-14(8-15(11)22(24,25)26)38(36,37)31-16-7-13(23)9-28-19(16)20(33)12-4-5-27-17(6-12)30-18(32)10-29-21(34)35/h2-9,29,31H,10H2,1H3,(H,34,35)(H,27,30,32).

What are the key properties of [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid?

[2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid has a molecular weight of 571.92 g/mol, XLogP of 3.70, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 143610414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).