2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide

C16H16N2O4S — CID 90579141

IUPAC2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)23(19,20)18-11-4-5-12-22-14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3
InChIKeyPAYUHJSASZZENT-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.45
Rot. Bonds6

About 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide

2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide (PubChem CID 90579141) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
PubChem CID90579141
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)23(19,20)18-11-4-5-12-22-14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3
InChIKeyPAYUHJSASZZENT-UHFFFAOYSA-N
XLogP1.45
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide
CID 90579532
N-[4-(2-methylphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 90575421
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577516
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-nitrobenzenesulfonamide
CID 90579524
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-2-ethoxybenzenesulfonamide
CID 90576332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide (CID 90579141) is 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC#CCOc1cccnc1.
What is the InChIKey of 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide?
The InChIKey is PAYUHJSASZZENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)23(19,20)18-11-4-5-12-22-14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3.
What are the key properties of 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide?
2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 90579141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).