2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide

C20H21N3O4S — CID 113016532

IUPAC2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H21N3O4S/c1-23(16-7-5-4-6-8-16)20-12-9-15(14-21-20)22-28(24,25)19-13-17(26-2)10-11-18(19)27-3/h4-14,22H,1-3H3
InChIKeyIUABAMVAZVLWQI-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.67
Rot. Bonds7

About 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide

2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016532) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016532
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H21N3O4S/c1-23(16-7-5-4-6-8-16)20-12-9-15(14-21-20)22-28(24,25)19-13-17(26-2)10-11-18(19)27-3/h4-14,22H,1-3H3
InChIKeyIUABAMVAZVLWQI-UHFFFAOYSA-N
XLogP3.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016532) is 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is IUABAMVAZVLWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23(16-7-5-4-6-8-16)20-12-9-15(14-21-20)22-28(24,25)19-13-17(26-2)10-11-18(19)27-3/h4-14,22H,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).