4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride

C18H28Cl2N4O2S — CID 24846272

IUPAC4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride
SMILESCCN(CC)CCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H26N4O2S.2ClH/c1-3-21(4-2)13-14-22(15-16-9-11-20-12-10-16)25(23,24)18-7-5-17(19)6-8-18;;/h5-12H,3-4,13-15,19H2,1-2H3;2*1H
InChIKeyIBUPMKYRPYJTQA-UHFFFAOYSA-N
MW435.42 g/mol
LogP3.04
Rot. Bonds9

About 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride

4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride (PubChem CID 24846272) has the molecular formula C18H28Cl2N4O2S and a molecular weight of 435.42 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride
PubChem CID24846272
Molecular FormulaC18H28Cl2N4O2S
Molecular Weight435.42 g/mol
Exact Mass434.13
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride
SMILESCCN(CC)CCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H26N4O2S.2ClH/c1-3-21(4-2)13-14-22(15-16-9-11-20-12-10-16)25(23,24)18-7-5-17(19)6-8-18;;/h5-12H,3-4,13-15,19H2,1-2H3;2*1H
InChIKeyIBUPMKYRPYJTQA-UHFFFAOYSA-N
XLogP3.04
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
3-[4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 73399082
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
CID 61450798
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759419
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride (CID 24846272) is 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride is CCN(CC)CCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is IBUPMKYRPYJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S.2ClH/c1-3-21(4-2)13-14-22(15-16-9-11-20-12-10-16)25(23,24)18-7-5-17(19)6-8-18;;/h5-12H,3-4,13-15,19H2,1-2H3;2*1H.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride?
4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 435.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 24846272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).