N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide

C17H22N2O3S — CID 72860009

IUPACN,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc(C)ccc2OC)cc1
InChIInChI=1S/C17H22N2O3S/c1-5-19(6-2)23(20,21)15-10-8-14(9-11-15)17-16(22-4)12-7-13(3)18-17/h7-12H,5-6H2,1-4H3
InChIKeyZELGMKFKEGOPAA-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.10
Rot. Bonds6

About N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide

N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 72860009) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID72860009
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc(C)ccc2OC)cc1
InChIInChI=1S/C17H22N2O3S/c1-5-19(6-2)23(20,21)15-10-8-14(9-11-15)17-16(22-4)12-7-13(3)18-17/h7-12H,5-6H2,1-4H3
InChIKeyZELGMKFKEGOPAA-UHFFFAOYSA-N
XLogP3.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583148
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
4-[(4Z)-4-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide
CID 26497408
N,N-diethyl-4-methoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 31984054

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide (CID 72860009) is N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nc(C)ccc2OC)cc1.
What is the InChIKey of N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is ZELGMKFKEGOPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-19(6-2)23(20,21)15-10-8-14(9-11-15)17-16(22-4)12-7-13(3)18-17/h7-12H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide?
N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 72860009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).