4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide

C18H19NO5S — CID 90575717

IUPAC4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5S/c1-22-15-9-11-16(12-10-15)25(20,21)19-13-5-6-14-24-18-8-4-3-7-17(18)23-2/h3-4,7-12,19H,13-14H2,1-2H3
InChIKeyIYYVVTSERZWEJE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.06
Rot. Bonds7

About 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide

4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide (PubChem CID 90575717) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
PubChem CID90575717
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5S/c1-22-15-9-11-16(12-10-15)25(20,21)19-13-5-6-14-24-18-8-4-3-7-17(18)23-2/h3-4,7-12,19H,13-14H2,1-2H3
InChIKeyIYYVVTSERZWEJE-UHFFFAOYSA-N
XLogP2.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.06
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

4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
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-methylphenoxy)but-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90575449
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075
2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803327
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide (CID 90575717) is 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The InChIKey is IYYVVTSERZWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-22-15-9-11-16(12-10-15)25(20,21)19-13-5-6-14-24-18-8-4-3-7-17(18)23-2/h3-4,7-12,19H,13-14H2,1-2H3.
What are the key properties of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).