N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

C15H18N2O3S — CID 25044131

IUPACN-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-5-13(6-8-14)9-11-17-21(18,19)15-4-3-10-16-12-15/h3-8,10,12,17H,2,9,11H2,1H3
InChIKeyNQOMPXDBIZKEDK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 25044131) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID25044131
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-5-13(6-8-14)9-11-17-21(18,19)15-4-3-10-16-12-15/h3-8,10,12,17H,2,9,11H2,1H3
InChIKeyNQOMPXDBIZKEDK-UHFFFAOYSA-N
XLogP2.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-propylpyridine-3-sulfonamide
CID 43258995
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 4686096
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
N-(4-ethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 56794329
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 25044131) is N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NQOMPXDBIZKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-14-7-5-13(6-8-14)9-11-17-21(18,19)15-4-3-10-16-12-15/h3-8,10,12,17H,2,9,11H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 25044131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).