3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide

C10H24ClN3O5S2 — CID 158828855

IUPAC3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCCl.NS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C7H16N2O3S.C3H8ClNO2S/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;4-2-1-3-8(5,6)7/h1-7H2,(H2,8,10,11);1-3H2,(H2,5,6,7)
InChIKeyIWUHOKOKBAPMSP-UHFFFAOYSA-N
MW365.91 g/mol
LogP-1.10
Rot. Bonds7

About 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide

3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide (PubChem CID 158828855) has the molecular formula C10H24ClN3O5S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide
PubChem CID158828855
Molecular FormulaC10H24ClN3O5S2
Molecular Weight365.91 g/mol
Exact Mass365.08
IUPAC Name3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCCl.NS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C7H16N2O3S.C3H8ClNO2S/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;4-2-1-3-8(5,6)7/h1-7H2,(H2,8,10,11);1-3H2,(H2,5,6,7)
InChIKeyIWUHOKOKBAPMSP-UHFFFAOYSA-N
XLogP-1.10
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide (CID 158828855) is 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide is NS(=O)(=O)CCCCl.NS(=O)(=O)CCCN1CCOCC1.
What is the InChIKey of 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide?
The InChIKey is IWUHOKOKBAPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.C3H8ClNO2S/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;4-2-1-3-8(5,6)7/h1-7H2,(H2,8,10,11);1-3H2,(H2,5,6,7).
What are the key properties of 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide?
3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide has a molecular weight of 365.91 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 158828855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).