5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide

C11H18ClN2O3S2+ — CID 2260511

IUPAC5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O3S2/c12-10-2-3-11(18-10)19(15,16)13-4-1-5-14-6-8-17-9-7-14/h2-3,13H,1,4-9H2/p+1
InChIKeyJIXQVIFQYLNAEA-UHFFFAOYSA-O
MW325.86 g/mol
LogP-0.01
Rot. Bonds6

About 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide

5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide (PubChem CID 2260511) has the molecular formula C11H18ClN2O3S2+ and a molecular weight of 325.86 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
PubChem CID2260511
Molecular FormulaC11H18ClN2O3S2+
Molecular Weight325.86 g/mol
Exact Mass325.04
IUPAC Name5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O3S2/c12-10-2-3-11(18-10)19(15,16)13-4-1-5-14-6-8-17-9-7-14/h2-3,13H,1,4-9H2/p+1
InChIKeyJIXQVIFQYLNAEA-UHFFFAOYSA-O
XLogP-0.01
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide (CID 2260511) is 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is JIXQVIFQYLNAEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17ClN2O3S2/c12-10-2-3-11(18-10)19(15,16)13-4-1-5-14-6-8-17-9-7-14/h2-3,13H,1,4-9H2/p+1.
What are the key properties of 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 325.86 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2260511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).