5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide

C23H22Cl2F3N5O4S — CID 66648919

IUPAC5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)Nc1cccnc1NC(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H22Cl2F3N5O4S/c1-13(2)31-21-18(5-4-8-29-21)32-22(34)20-19(9-14(24)11-30-20)33(12-37-3)38(35,36)15-6-7-17(25)16(10-15)23(26,27)28/h4-11,13H,12H2,1-3H3,(H,29,31)(H,32,34)
InChIKeyAQAKLAMIKADDPI-UHFFFAOYSA-N
MW592.43 g/mol
LogP5.67
Rot. Bonds9

About 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide

5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 66648919) has the molecular formula C23H22Cl2F3N5O4S and a molecular weight of 592.43 g/mol. Its IUPAC name is 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID66648919
Molecular FormulaC23H22Cl2F3N5O4S
Molecular Weight592.43 g/mol
Exact Mass591.07
IUPAC Name5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)Nc1cccnc1NC(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H22Cl2F3N5O4S/c1-13(2)31-21-18(5-4-8-29-21)32-22(34)20-19(9-14(24)11-30-20)33(12-37-3)38(35,36)15-6-7-17(25)16(10-15)23(26,27)28/h4-11,13H,12H2,1-3H3,(H,29,31)(H,32,34)
InChIKeyAQAKLAMIKADDPI-UHFFFAOYSA-N
XLogP5.67
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide (CID 66648919) is 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide is COCN(c1cc(Cl)cnc1C(=O)Nc1cccnc1NC(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is AQAKLAMIKADDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3N5O4S/c1-13(2)31-21-18(5-4-8-29-21)32-22(34)20-19(9-14(24)11-30-20)33(12-37-3)38(35,36)15-6-7-17(25)16(10-15)23(26,27)28/h4-11,13H,12H2,1-3H3,(H,29,31)(H,32,34).
What are the key properties of 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 592.43 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 66648919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).