N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide

C18H26N3O3S+ — CID 8024412

IUPACN,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccccc2OC)[nH+]c1
InChIInChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)16-11-12-18(19-13-16)20(3)14-15-9-7-8-10-17(15)24-4/h7-13H,5-6,14H2,1-4H3/p+1
InChIKeyNQFDMPIEWMIDJS-UHFFFAOYSA-O
MW364.49 g/mol
LogP2.18
Rot. Bonds8

About N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide

N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide (PubChem CID 8024412) has the molecular formula C18H26N3O3S+ and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide
PubChem CID8024412
Molecular FormulaC18H26N3O3S+
Molecular Weight364.49 g/mol
Exact Mass364.17
IUPAC NameN,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccccc2OC)[nH+]c1
InChIInChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)16-11-12-18(19-13-16)20(3)14-15-9-7-8-10-17(15)24-4/h7-13H,5-6,14H2,1-4H3/p+1
InChIKeyNQFDMPIEWMIDJS-UHFFFAOYSA-O
XLogP2.18
TPSA63.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9186578
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9195190
N,N-diethyl-6-[(2-methylphenyl)methylamino]pyridin-1-ium-3-sulfonamide
CID 9251563
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 43909211
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372487
2-[benzenesulfonyl(ethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372043
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
CID 3735954
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide (CID 8024412) is N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccccc2OC)[nH+]c1.
What is the InChIKey of N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide?
The InChIKey is NQFDMPIEWMIDJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)16-11-12-18(19-13-16)20(3)14-15-9-7-8-10-17(15)24-4/h7-13H,5-6,14H2,1-4H3/p+1.
What are the key properties of N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide?
N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 8024412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).