1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide

C4H8ClF2NO3S — CID 106178272

IUPAC1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC(F)(F)CO
InChIInChI=1S/C4H8ClF2NO3S/c5-3-12(10,11)8-1-4(6,7)2-9/h8-9H,1-3H2
InChIKeyHNJRWIISPWKPSE-UHFFFAOYSA-N
MW223.63 g/mol
LogP-0.27
Rot. Bonds5

About 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide

1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide (PubChem CID 106178272) has the molecular formula C4H8ClF2NO3S and a molecular weight of 223.63 g/mol. Its IUPAC name is 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
PubChem CID106178272
Molecular FormulaC4H8ClF2NO3S
Molecular Weight223.63 g/mol
Exact Mass222.99
IUPAC Name1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC(F)(F)CO
InChIInChI=1S/C4H8ClF2NO3S/c5-3-12(10,11)8-1-4(6,7)2-9/h8-9H,1-3H2
InChIKeyHNJRWIISPWKPSE-UHFFFAOYSA-N
XLogP-0.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 104858688
5-chloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 104858721
1-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)methanesulfonamide
CID 106248521
1-chloro-N-(4-hydroxybutyl)methanesulfonamide
CID 106844119
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
CID 104858821
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 106173130

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide (CID 106178272) is 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide is O=S(=O)(CCl)NCC(F)(F)CO.
What is the InChIKey of 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The InChIKey is HNJRWIISPWKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClF2NO3S/c5-3-12(10,11)8-1-4(6,7)2-9/h8-9H,1-3H2.
What are the key properties of 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide has a molecular weight of 223.63 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 106178272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).