N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide

C16H16N2O4S — CID 71802961

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)22-12-5-4-11-18-23(19,20)14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3
InChIKeyMDIALHWCWLPDTG-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.45
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide (PubChem CID 71802961) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
PubChem CID71802961
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)22-12-5-4-11-18-23(19,20)14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3
InChIKeyMDIALHWCWLPDTG-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-methylphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 90575421
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
CID 90579141
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide (CID 71802961) is N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide is COc1ccccc1OCC#CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide?
The InChIKey is MDIALHWCWLPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-15-8-2-3-9-16(15)22-12-5-4-11-18-23(19,20)14-7-6-10-17-13-14/h2-3,6-10,13,18H,11-12H2,1H3.
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide 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 N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71802961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).