1-chloro-N-(3-fluoropropyl)methanesulfonamide

C4H9ClFNO2S — CID 130504898

IUPAC1-chloro-N-(3-fluoropropyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCCCF
InChIInChI=1S/C4H9ClFNO2S/c5-4-10(8,9)7-3-1-2-6/h7H,1-4H2
InChIKeyGKPFNASPPQLJGB-UHFFFAOYSA-N
MW189.64 g/mol
LogP0.46
Rot. Bonds5

About 1-chloro-N-(3-fluoropropyl)methanesulfonamide

1-chloro-N-(3-fluoropropyl)methanesulfonamide (PubChem CID 130504898) has the molecular formula C4H9ClFNO2S and a molecular weight of 189.64 g/mol. Its IUPAC name is 1-chloro-N-(3-fluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(3-fluoropropyl)methanesulfonamide
PubChem CID130504898
Molecular FormulaC4H9ClFNO2S
Molecular Weight189.64 g/mol
Exact Mass189.00
IUPAC Name1-chloro-N-(3-fluoropropyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCCCF
InChIInChI=1S/C4H9ClFNO2S/c5-4-10(8,9)7-3-1-2-6/h7H,1-4H2
InChIKeyGKPFNASPPQLJGB-UHFFFAOYSA-N
XLogP0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-fluoropropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(3-fluoropropyl)methanesulfonamide (CID 130504898) is 1-chloro-N-(3-fluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(3-fluoropropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(3-fluoropropyl)methanesulfonamide is O=S(=O)(CCl)NCCCF.
What is the InChIKey of 1-chloro-N-(3-fluoropropyl)methanesulfonamide?
The InChIKey is GKPFNASPPQLJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClFNO2S/c5-4-10(8,9)7-3-1-2-6/h7H,1-4H2.
What are the key properties of 1-chloro-N-(3-fluoropropyl)methanesulfonamide?
1-chloro-N-(3-fluoropropyl)methanesulfonamide has a molecular weight of 189.64 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-fluoropropyl)methanesulfonamide is sourced from PubChem (CID 130504898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).