3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide

C11H22ClNO4S — CID 61248566

IUPAC3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCOCC1CCCO1
InChIInChI=1S/C11H22ClNO4S/c12-5-2-9-18(14,15)13-6-3-7-16-10-11-4-1-8-17-11/h11,13H,1-10H2
InChIKeyCHJFNLIBNZIAJI-UHFFFAOYSA-N
MW299.82 g/mol
LogP1.12
Rot. Bonds10

About 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide

3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide (PubChem CID 61248566) has the molecular formula C11H22ClNO4S and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
PubChem CID61248566
Molecular FormulaC11H22ClNO4S
Molecular Weight299.82 g/mol
Exact Mass299.10
IUPAC Name3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCOCC1CCCO1
InChIInChI=1S/C11H22ClNO4S/c12-5-2-9-18(14,15)13-6-3-7-16-10-11-4-1-8-17-11/h11,13H,1-10H2
InChIKeyCHJFNLIBNZIAJI-UHFFFAOYSA-N
XLogP1.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
CID 95733836
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
CID 61254669
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407858
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide (CID 61248566) is 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCCCOCC1CCCO1.
What is the InChIKey of 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide?
The InChIKey is CHJFNLIBNZIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO4S/c12-5-2-9-18(14,15)13-6-3-7-16-10-11-4-1-8-17-11/h11,13H,1-10H2.
What are the key properties of 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide?
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide has a molecular weight of 299.82 g/mol, XLogP of 1.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide is sourced from PubChem (CID 61248566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).