2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H14Cl2N2O2S — CID 23988205

IUPAC2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3
InChIKeyAQULKCBILRJPKG-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.60
Rot. Bonds5

About 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 23988205) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID23988205
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3
InChIKeyAQULKCBILRJPKG-UHFFFAOYSA-N
XLogP3.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
2-chloro-N-ethyl-4-methyl-N-[(3-pyridin-4-ylphenyl)methyl]benzenesulfonamide
CID 166215305
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
4-(3-aminoprop-1-ynyl)-N-benzyl-2-chloro-N-ethylbenzenesulfonamide
CID 113224293
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 23988205) is 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is AQULKCBILRJPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3.
What are the key properties of 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).