(2-morpholin-4-ylphenyl) thiophene-2-sulfonate

C14H15NO4S2 — CID 2813111

IUPAC(2-morpholin-4-ylphenyl) thiophene-2-sulfonate
SMILESO=S(=O)(Oc1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c16-21(17,14-6-3-11-20-14)19-13-5-2-1-4-12(13)15-7-9-18-10-8-15/h1-6,11H,7-10H2
InChIKeyPEMULPNZFGHOGQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.35
Rot. Bonds4

About (2-morpholin-4-ylphenyl) thiophene-2-sulfonate

(2-morpholin-4-ylphenyl) thiophene-2-sulfonate (PubChem CID 2813111) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl) thiophene-2-sulfonate.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl) thiophene-2-sulfonate
PubChem CID2813111
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name(2-morpholin-4-ylphenyl) thiophene-2-sulfonate
SMILESO=S(=O)(Oc1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c16-21(17,14-6-3-11-20-14)19-13-5-2-1-4-12(13)15-7-9-18-10-8-15/h1-6,11H,7-10H2
InChIKeyPEMULPNZFGHOGQ-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2-morpholin-4-ylphenyl) 1-methylimidazole-4-sulfonate
CID 2813112
(2-morpholin-4-ylphenyl) 2,5-dichlorothiophene-3-sulfonate
CID 2813106
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
4-(2-phenoxyphenyl)morpholine
CID 518097
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17431538
4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
CID 110361596
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 112504149
(2,2-dimethyl-3H-1-benzofuran-7-yl) thiophene-2-sulfonate
CID 26948956
methyl thiophene-2-sulfonate
CID 56986285
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9334371
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5168482

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl) thiophene-2-sulfonate?
The IUPAC name of (2-morpholin-4-ylphenyl) thiophene-2-sulfonate (CID 2813111) is (2-morpholin-4-ylphenyl) thiophene-2-sulfonate.
What is the SMILES notation for (2-morpholin-4-ylphenyl) thiophene-2-sulfonate?
The canonical SMILES for (2-morpholin-4-ylphenyl) thiophene-2-sulfonate is O=S(=O)(Oc1ccccc1N1CCOCC1)c1cccs1.
What is the InChIKey of (2-morpholin-4-ylphenyl) thiophene-2-sulfonate?
The InChIKey is PEMULPNZFGHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-21(17,14-6-3-11-20-14)19-13-5-2-1-4-12(13)15-7-9-18-10-8-15/h1-6,11H,7-10H2.
What are the key properties of (2-morpholin-4-ylphenyl) thiophene-2-sulfonate?
(2-morpholin-4-ylphenyl) thiophene-2-sulfonate has a molecular weight of 325.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl) thiophene-2-sulfonate is sourced from PubChem (CID 2813111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).