N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide

C19H21N3O3S — CID 55691585

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N(C)C)nc2)c2ccccc12
InChIInChI=1S/C19H21N3O3S/c1-22(2)19-11-8-14(12-20-19)13-21-26(23,24)18-10-9-17(25-3)15-6-4-5-7-16(15)18/h4-12,21H,13H2,1-3H3
InChIKeySORIOCHMAGHLIB-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.79
Rot. Bonds6

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide (PubChem CID 55691585) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
PubChem CID55691585
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N(C)C)nc2)c2ccccc12
InChIInChI=1S/C19H21N3O3S/c1-22(2)19-11-8-14(12-20-19)13-21-26(23,24)18-10-9-17(25-3)15-6-4-5-7-16(15)18/h4-12,21H,13H2,1-3H3
InChIKeySORIOCHMAGHLIB-UHFFFAOYSA-N
XLogP2.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
3-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzene-1,3-disulfonamide
CID 55627731
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621126
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 55681797
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide (CID 55691585) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)nc2)c2ccccc12.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is SORIOCHMAGHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22(2)19-11-8-14(12-20-19)13-21-26(23,24)18-10-9-17(25-3)15-6-4-5-7-16(15)18/h4-12,21H,13H2,1-3H3.
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 55691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).