5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide

C23H18F3N3O3S2 — CID 24759951

IUPAC5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(N)(=O)=O)s4)c3)c2)ccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O3S2/c1-13-9-16(14-3-4-17(23(24,25)26)20(12-14)32-2)11-18(29-13)15-7-8-28-19(10-15)21-5-6-22(33-21)34(27,30)31/h3-12H,1-2H3,(H2,27,30,31)
InChIKeyAADRRFWTLMRRPW-UHFFFAOYSA-N
MW505.54 g/mol
LogP5.52
Rot. Bonds5

About 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide

5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 24759951) has the molecular formula C23H18F3N3O3S2 and a molecular weight of 505.54 g/mol. Its IUPAC name is 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID24759951
Molecular FormulaC23H18F3N3O3S2
Molecular Weight505.54 g/mol
Exact Mass505.07
IUPAC Name5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(N)(=O)=O)s4)c3)c2)ccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O3S2/c1-13-9-16(14-3-4-17(23(24,25)26)20(12-14)32-2)11-18(29-13)15-7-8-28-19(10-15)21-5-6-22(33-21)34(27,30)31/h3-12H,1-2H3,(H2,27,30,31)
InChIKeyAADRRFWTLMRRPW-UHFFFAOYSA-N
XLogP5.52
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide (CID 24759951) is 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is COc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(N)(=O)=O)s4)c3)c2)ccc1C(F)(F)F.
What is the InChIKey of 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is AADRRFWTLMRRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S2/c1-13-9-16(14-3-4-17(23(24,25)26)20(12-14)32-2)11-18(29-13)15-7-8-28-19(10-15)21-5-6-22(33-21)34(27,30)31/h3-12H,1-2H3,(H2,27,30,31).
What are the key properties of 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide?
5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 505.54 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24759951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).