4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H17N3O2S — CID 61138237

IUPAC4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-17(11-12-7-9-16-10-8-12)20(18,19)14-5-3-13(15)4-6-14/h3-10H,2,11,15H2,1H3
InChIKeyJHFDHRQMPRIBAN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.87
Rot. Bonds5

About 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 61138237) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID61138237
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-17(11-12-7-9-16-10-8-12)20(18,19)14-5-3-13(15)4-6-14/h3-10H,2,11,15H2,1H3
InChIKeyJHFDHRQMPRIBAN-UHFFFAOYSA-N
XLogP1.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride
CID 24846272
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
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
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 61138237) is 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is JHFDHRQMPRIBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-17(11-12-7-9-16-10-8-12)20(18,19)14-5-3-13(15)4-6-14/h3-10H,2,11,15H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61138237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).