N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

C17H22N2O5S — CID 35389739

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C17H22N2O5S/c1-3-23-17-14(5-4-10-18-17)13-19-25(20,21)16-8-6-15(7-9-16)24-12-11-22-2/h4-10,19H,3,11-13H2,1-2H3
InChIKeyDCAVBJSAVBRTTH-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.98
Rot. Bonds10

About N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 35389739) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID35389739
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C17H22N2O5S/c1-3-23-17-14(5-4-10-18-17)13-19-25(20,21)16-8-6-15(7-9-16)24-12-11-22-2/h4-10,19H,3,11-13H2,1-2H3
InChIKeyDCAVBJSAVBRTTH-UHFFFAOYSA-N
XLogP1.98
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 35389857
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 35389866
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289999
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 35389739) is N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is CCOc1ncccc1CNS(=O)(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is DCAVBJSAVBRTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-3-23-17-14(5-4-10-18-17)13-19-25(20,21)16-8-6-15(7-9-16)24-12-11-22-2/h4-10,19H,3,11-13H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 35389739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).