2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide

C11H16Cl2N2O3S2 — CID 44755919

IUPAC2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl2N2O3S2/c12-10-8-9(11(13)19-10)20(16,17)14-2-1-3-15-4-6-18-7-5-15/h8,14H,1-7H2
InChIKeyHONIRHRLUNJLQY-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.06
Rot. Bonds6

About 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide (PubChem CID 44755919) has the molecular formula C11H16Cl2N2O3S2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide
PubChem CID44755919
Molecular FormulaC11H16Cl2N2O3S2
Molecular Weight359.30 g/mol
Exact Mass358.00
IUPAC Name2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl2N2O3S2/c12-10-8-9(11(13)19-10)20(16,17)14-2-1-3-15-4-6-18-7-5-15/h8,14H,1-7H2
InChIKeyHONIRHRLUNJLQY-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide (CID 44755919) is 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide is O=S(=O)(NCCCN1CCOCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide?
The InChIKey is HONIRHRLUNJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S2/c12-10-8-9(11(13)19-10)20(16,17)14-2-1-3-15-4-6-18-7-5-15/h8,14H,1-7H2.
What are the key properties of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide has a molecular weight of 359.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 44755919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).