N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide

C14H17N3O2S — CID 106936356

IUPACN-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-17(13-8-10-16-11-9-13)20(18,19)14-6-4-12(15-2)5-7-14/h4-11,15H,3H2,1-2H3
InChIKeyFYSGRHHZNUGDKI-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide

N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106936356) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106936356
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-17(13-8-10-16-11-9-13)20(18,19)14-6-4-12(15-2)5-7-14/h4-11,15H,3H2,1-2H3
InChIKeyFYSGRHHZNUGDKI-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-ethyl-2-(methylamino)-N-pyridin-4-ylethanesulfonamide
CID 106936354
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 75449046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide (CID 106936356) is N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is FYSGRHHZNUGDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17(13-8-10-16-11-9-13)20(18,19)14-6-4-12(15-2)5-7-14/h4-11,15H,3H2,1-2H3.
What are the key properties of N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide?
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106936356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).