4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C20H20N2O3S — CID 110360449

IUPAC4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-16-5-7-18(8-6-16)22(15-17-4-3-13-21-14-17)26(23,24)20-11-9-19(25-2)10-12-20/h3-14H,15H2,1-2H3
InChIKeyZDCNUURIVKHUHC-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.79
Rot. Bonds6

About 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110360449) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110360449
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-16-5-7-18(8-6-16)22(15-17-4-3-13-21-14-17)26(23,24)20-11-9-19(25-2)10-12-20/h3-14H,15H2,1-2H3
InChIKeyZDCNUURIVKHUHC-UHFFFAOYSA-N
XLogP3.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-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

Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 46972372
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 54403109

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110360449) is 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZDCNUURIVKHUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-16-5-7-18(8-6-16)22(15-17-4-3-13-21-14-17)26(23,24)20-11-9-19(25-2)10-12-20/h3-14H,15H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110360449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).