3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

C23H25FN2O3S — CID 29153378

IUPAC3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-18(2)17-29-22-8-6-19(7-9-22)15-26(16-20-10-12-25-13-11-20)30(27,28)23-5-3-4-21(24)14-23/h3-14,18H,15-17H2,1-2H3
InChIKeyLOMFRQVZWCQWSX-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.65
Rot. Bonds9

About 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 29153378) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID29153378
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-18(2)17-29-22-8-6-19(7-9-22)15-26(16-20-10-12-25-13-11-20)30(27,28)23-5-3-4-21(24)14-23/h3-14,18H,15-17H2,1-2H3
InChIKeyLOMFRQVZWCQWSX-UHFFFAOYSA-N
XLogP4.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide 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 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 29153378) is 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is CC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is LOMFRQVZWCQWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-18(2)17-29-22-8-6-19(7-9-22)15-26(16-20-10-12-25-13-11-20)30(27,28)23-5-3-4-21(24)14-23/h3-14,18H,15-17H2,1-2H3.
What are the key properties of 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 29153378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).