N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide

C17H23N3O3S — CID 113029763

IUPACN-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)nc1
InChIInChI=1S/C17H23N3O3S/c1-5-20(6-2)14-7-10-17(18-12-14)19-24(21,22)16-9-8-15(23-4)11-13(16)3/h7-12H,5-6H2,1-4H3,(H,18,19)
InChIKeyPRYLWIKDDOQQJE-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.05
Rot. Bonds7

About N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide

N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113029763) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113029763
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)nc1
InChIInChI=1S/C17H23N3O3S/c1-5-20(6-2)14-7-10-17(18-12-14)19-24(21,22)16-9-8-15(23-4)11-13(16)3/h7-12H,5-6H2,1-4H3,(H,18,19)
InChIKeyPRYLWIKDDOQQJE-UHFFFAOYSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113022826
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113029763) is N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)nc1.
What is the InChIKey of N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is PRYLWIKDDOQQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-20(6-2)14-7-10-17(18-12-14)19-24(21,22)16-9-8-15(23-4)11-13(16)3/h7-12H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113029763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).