N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide

C15H19N3O2S — CID 60904045

IUPACN-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-18-21(19,20)15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17-18H,2,9,12H2,1H3
InChIKeyFOQGQDVZDKBKBA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.03
Rot. Bonds7

About N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide

N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide (PubChem CID 60904045) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
PubChem CID60904045
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-18-21(19,20)15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17-18H,2,9,12H2,1H3
InChIKeyFOQGQDVZDKBKBA-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide (CID 60904045) is N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCc2ccncc2)cc1.
What is the InChIKey of N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The InChIKey is FOQGQDVZDKBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-18-21(19,20)15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17-18H,2,9,12H2,1H3.
What are the key properties of N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide?
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 60904045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).