6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide

C19H27N3O4S — CID 4885141

IUPAC6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccc(OC)c2OC)nc1
InChIInChI=1S/C19H27N3O4S/c1-6-22(7-2)27(23,24)16-11-12-18(20-13-16)21(3)14-15-9-8-10-17(25-4)19(15)26-5/h8-13H,6-7,14H2,1-5H3
InChIKeyMENPABPQNBOOAS-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.77
Rot. Bonds9

About 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide

6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4885141) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
PubChem CID4885141
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccc(OC)c2OC)nc1
InChIInChI=1S/C19H27N3O4S/c1-6-22(7-2)27(23,24)16-11-12-18(20-13-16)21(3)14-15-9-8-10-17(25-4)19(15)26-5/h8-13H,6-7,14H2,1-5H3
InChIKeyMENPABPQNBOOAS-UHFFFAOYSA-N
XLogP2.77
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide (CID 4885141) is 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccc(OC)c2OC)nc1.
What is the InChIKey of 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MENPABPQNBOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-6-22(7-2)27(23,24)16-11-12-18(20-13-16)21(3)14-15-9-8-10-17(25-4)19(15)26-5/h8-13H,6-7,14H2,1-5H3.
What are the key properties of 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).