1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide

C5H10ClNO4S — CID 130751521

IUPAC1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
SMILESO=S(=O)(CCl)NC1COCC1O
InChIInChI=1S/C5H10ClNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2
InChIKeyFCBZUVRVSRTELT-UHFFFAOYSA-N
MW215.66 g/mol
LogP-1.14
Rot. Bonds3

About 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide

1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide (PubChem CID 130751521) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
PubChem CID130751521
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Name1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
SMILESO=S(=O)(CCl)NC1COCC1O
InChIInChI=1S/C5H10ClNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2
InChIKeyFCBZUVRVSRTELT-UHFFFAOYSA-N
XLogP-1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130696836
1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130831677
N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
N-(4-hydroxyoxolan-3-yl)cyclopropanesulfonamide
CID 126991299
3-Hydroxy-4-(sulfamoylamino)oxolane
CID 126994992
1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130623589
N-[(3R,4S)-4-hydroxyoxolan-3-yl]cyclopropanesulfonamide
CID 130638996
N-(4-hydroxyoxolan-3-yl)methanesulfinamide
CID 130680333
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide
CID 130686140
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfinamide
CID 130690732

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide (CID 130751521) is 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide is O=S(=O)(CCl)NC1COCC1O.
What is the InChIKey of 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
The InChIKey is FCBZUVRVSRTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S/c6-3-12(9,10)7-4-1-11-2-5(4)8/h4-5,7-8H,1-3H2.
What are the key properties of 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide?
1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide has a molecular weight of 215.66 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 130751521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).