2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H16N2O4S — CID 786081

IUPAC2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C14H16N2O4S/c1-19-12-3-4-13(20-2)14(9-12)21(17,18)16-10-11-5-7-15-8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyRYTBDSLPFLJDKM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.58
Rot. Bonds6

About 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 786081) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID786081
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C14H16N2O4S/c1-19-12-3-4-13(20-2)14(9-12)21(17,18)16-10-11-5-7-15-8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyRYTBDSLPFLJDKM-UHFFFAOYSA-N
XLogP1.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25048385
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 786081) is 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is RYTBDSLPFLJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-12-3-4-13(20-2)14(9-12)21(17,18)16-10-11-5-7-15-8-6-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 786081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).