N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide

C16H18N2O5S — CID 69401317

IUPACN-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1
InChIInChI=1S/C16H18N2O5S/c1-12(19)13-3-8-16(17-11-13)18-24(20,21)15-6-4-14(5-7-15)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyLQYRTNYSAYEDOH-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.11
Rot. Bonds8

About N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide

N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 69401317) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID69401317
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1
InChIInChI=1S/C16H18N2O5S/c1-12(19)13-3-8-16(17-11-13)18-24(20,21)15-6-4-14(5-7-15)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyLQYRTNYSAYEDOH-UHFFFAOYSA-N
XLogP2.11
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.11
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-(5-acetyl-2-pyridinyl)-4-(3-hydroxypropoxy)benzenesulfonamide
CID 131738517
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
CID 65098765
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
S-[2-oxo-2-[6-[[4-(2-piperidin-2-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 87814433
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
N-[5-(2-bromoacetyl)-2-pyridinyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 131738515
N-(5-methoxy-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 67305769
4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CID 71397348
4-[4-[[5-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-2-pyridinyl]sulfamoyl]phenoxy]butanoic acid
CID 176592581

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide (CID 69401317) is N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is LQYRTNYSAYEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-12(19)13-3-8-16(17-11-13)18-24(20,21)15-6-4-14(5-7-15)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide?
N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 69401317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).