N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide

C19H20N4O2S — CID 113028583

IUPACN-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H20N4O2S/c1-23(14-11-16-9-12-20-13-10-16)17-7-8-19(21-15-17)22-26(24,25)18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,21,22)
InChIKeyWXHZIMYDSWOBEY-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.96
Rot. Bonds7

About N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide

N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113028583) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
PubChem CID113028583
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H20N4O2S/c1-23(14-11-16-9-12-20-13-10-16)17-7-8-19(21-15-17)22-26(24,25)18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,21,22)
InChIKeyWXHZIMYDSWOBEY-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028585
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113030616
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
4-methoxy-N-[5-(N-methylanilino)-2-pyridinyl]benzenesulfonamide
CID 113031714
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113042890
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide (CID 113028583) is N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide is CN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is WXHZIMYDSWOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(14-11-16-9-12-20-13-10-16)17-7-8-19(21-15-17)22-26(24,25)18-5-3-2-4-6-18/h2-10,12-13,15H,11,14H2,1H3,(H,21,22).
What are the key properties of N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113028583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).