N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide

C31H32F3N3O5S — CID 24760084

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCOCCOCCOCCNS(=O)(=O)c1cccc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C)n3)n2)c1
InChIInChI=1S/C31H32F3N3O5S/c1-22-19-25(23-9-11-26(12-10-23)31(32,33)34)21-30(36-22)29-8-4-7-28(37-29)24-5-3-6-27(20-24)43(38,39)35-13-14-41-17-18-42-16-15-40-2/h3-12,19-21,35H,13-18H2,1-2H3
InChIKeyXAMOUGHFQYNSED-UHFFFAOYSA-N
MW615.67 g/mol
LogP5.76
Rot. Bonds14

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 24760084) has the molecular formula C31H32F3N3O5S and a molecular weight of 615.67 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
PubChem CID24760084
Molecular FormulaC31H32F3N3O5S
Molecular Weight615.67 g/mol
Exact Mass615.20
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide
SMILESCOCCOCCOCCNS(=O)(=O)c1cccc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C)n3)n2)c1
InChIInChI=1S/C31H32F3N3O5S/c1-22-19-25(23-9-11-26(12-10-23)31(32,33)34)21-30(36-22)29-8-4-7-28(37-29)24-5-3-6-27(20-24)43(38,39)35-13-14-41-17-18-42-16-15-40-2/h3-12,19-21,35H,13-18H2,1-2H3
InChIKeyXAMOUGHFQYNSED-UHFFFAOYSA-N
XLogP5.76
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.67
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide (CID 24760084) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is COCCOCCOCCNS(=O)(=O)c1cccc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C)n3)n2)c1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is XAMOUGHFQYNSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O5S/c1-22-19-25(23-9-11-26(12-10-23)31(32,33)34)21-30(36-22)29-8-4-7-28(37-29)24-5-3-6-27(20-24)43(38,39)35-13-14-41-17-18-42-16-15-40-2/h3-12,19-21,35H,13-18H2,1-2H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 615.67 g/mol, XLogP of 5.76, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24760084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).