4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

C20H19ClN2O4S — CID 1075667

IUPAC4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN2O4S/c1-26-18-13-20(19(27-2)12-17(18)21)28(24,25)23-16-5-3-14(4-6-16)11-15-7-9-22-10-8-15/h3-10,12-13,23H,11H2,1-2H3
InChIKeyFWEIHKKWDFQWEY-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.14
Rot. Bonds7

About 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 1075667) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID1075667
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN2O4S/c1-26-18-13-20(19(27-2)12-17(18)21)28(24,25)23-16-5-3-14(4-6-16)11-15-7-9-22-10-8-15/h3-10,12-13,23H,11H2,1-2H3
InChIKeyFWEIHKKWDFQWEY-UHFFFAOYSA-N
XLogP4.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
ethanol;5-fluoro-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 90485102
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (CID 1075667) is 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is FWEIHKKWDFQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-26-18-13-20(19(27-2)12-17(18)21)28(24,25)23-16-5-3-14(4-6-16)11-15-7-9-22-10-8-15/h3-10,12-13,23H,11H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 418.90 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1075667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).