benzenesulfonic acid;morpholine

C10H15NO4S — CID 19828077

IUPACbenzenesulfonic acid;morpholine
SMILESC1COCCN1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C6H6O3S.C4H9NO/c7-10(8,9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8,9);5H,1-4H2
InChIKeyVMEDQFDEBTXTJM-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.54
Rot. Bonds1

About benzenesulfonic acid;morpholine

benzenesulfonic acid;morpholine (PubChem CID 19828077) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is benzenesulfonic acid;morpholine.

Molecular Properties

Compound Namebenzenesulfonic acid;morpholine
PubChem CID19828077
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Namebenzenesulfonic acid;morpholine
SMILESC1COCCN1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C6H6O3S.C4H9NO/c7-10(8,9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8,9);5H,1-4H2
InChIKeyVMEDQFDEBTXTJM-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;morpholine?
The IUPAC name of benzenesulfonic acid;morpholine (CID 19828077) is benzenesulfonic acid;morpholine.
What is the SMILES notation for benzenesulfonic acid;morpholine?
The canonical SMILES for benzenesulfonic acid;morpholine is C1COCCN1.O=S(=O)(O)c1ccccc1.
What is the InChIKey of benzenesulfonic acid;morpholine?
The InChIKey is VMEDQFDEBTXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.C4H9NO/c7-10(8,9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8,9);5H,1-4H2.
What are the key properties of benzenesulfonic acid;morpholine?
benzenesulfonic acid;morpholine has a molecular weight of 245.30 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;morpholine is sourced from PubChem (CID 19828077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).