N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide

C16H21N3O4S — CID 55627601

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C16H21N3O4S/c1-19(2)16-8-5-12(10-17-16)11-18-24(20,21)15-9-13(22-3)6-7-14(15)23-4/h5-10,18H,11H2,1-4H3
InChIKeyRDCGPZWINOBZRR-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.64
Rot. Bonds7

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 55627601) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID55627601
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C16H21N3O4S/c1-19(2)16-8-5-12(10-17-16)11-18-24(20,21)15-9-13(22-3)6-7-14(15)23-4/h5-10,18H,11H2,1-4H3
InChIKeyRDCGPZWINOBZRR-UHFFFAOYSA-N
XLogP1.64
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
CID 55691585
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25048385
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 55681797
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
3-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzene-1,3-disulfonamide
CID 55627731
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
CID 161183408
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide (CID 55627601) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)nc2)c1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RDCGPZWINOBZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-19(2)16-8-5-12(10-17-16)11-18-24(20,21)15-9-13(22-3)6-7-14(15)23-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 55627601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).