4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

C20H20N2O3S — CID 1264019

IUPAC4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C
InChIInChI=1S/C20H20N2O3S/c1-15-13-19(7-8-20(15)25-2)26(23,24)22-18-5-3-16(4-6-18)14-17-9-11-21-12-10-17/h3-13,22H,14H2,1-2H3
InChIKeyLYDYWZOPPDRVBM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.79
Rot. Bonds6

About 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 1264019) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID1264019
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C
InChIInChI=1S/C20H20N2O3S/c1-15-13-19(7-8-20(15)25-2)26(23,24)22-18-5-3-16(4-6-18)14-17-9-11-21-12-10-17/h3-13,22H,14H2,1-2H3
InChIKeyLYDYWZOPPDRVBM-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (CID 1264019) is 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is LYDYWZOPPDRVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-13-19(7-8-20(15)25-2)26(23,24)22-18-5-3-16(4-6-18)14-17-9-11-21-12-10-17/h3-13,22H,14H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1264019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).