N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide

C14H16N2O3S — CID 25045130

IUPACN-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-14-8-4-3-6-12(14)10-16-20(17,18)13-7-5-9-15-11-13/h3-9,11,16H,2,10H2,1H3
InChIKeyLDEPEVNHODFYGF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.96
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 25045130) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
PubChem CID25045130
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-14-8-4-3-6-12(14)10-16-20(17,18)13-7-5-9-15-11-13/h3-9,11,16H,2,10H2,1H3
InChIKeyLDEPEVNHODFYGF-UHFFFAOYSA-N
XLogP1.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 26407651
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
N-propylpyridine-3-sulfonamide
CID 43258995
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938587
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 35389857
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide (CID 25045130) is N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is LDEPEVNHODFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-19-14-8-4-3-6-12(14)10-16-20(17,18)13-7-5-9-15-11-13/h3-9,11,16H,2,10H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide?
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 25045130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).