3-(difluoromethylsulfonylamino)propane-1-sulfonamide

C4H10F2N2O4S2 — CID 61131874

IUPAC3-(difluoromethylsulfonylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O4S2/c5-4(6)14(11,12)8-2-1-3-13(7,9)10/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyPMWSWYQGKVWZCL-UHFFFAOYSA-N
MW252.26 g/mol
LogP-1.19
Rot. Bonds6

About 3-(difluoromethylsulfonylamino)propane-1-sulfonamide

3-(difluoromethylsulfonylamino)propane-1-sulfonamide (PubChem CID 61131874) has the molecular formula C4H10F2N2O4S2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)propane-1-sulfonamide
PubChem CID61131874
Molecular FormulaC4H10F2N2O4S2
Molecular Weight252.26 g/mol
Exact Mass252.01
IUPAC Name3-(difluoromethylsulfonylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O4S2/c5-4(6)14(11,12)8-2-1-3-13(7,9)10/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyPMWSWYQGKVWZCL-UHFFFAOYSA-N
XLogP-1.19
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)propane-1-sulfonamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)propane-1-sulfonamide (CID 61131874) is 3-(difluoromethylsulfonylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)propane-1-sulfonamide?
The InChIKey is PMWSWYQGKVWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O4S2/c5-4(6)14(11,12)8-2-1-3-13(7,9)10/h4,8H,1-3H2,(H2,7,9,10).
What are the key properties of 3-(difluoromethylsulfonylamino)propane-1-sulfonamide?
3-(difluoromethylsulfonylamino)propane-1-sulfonamide has a molecular weight of 252.26 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)propane-1-sulfonamide is sourced from PubChem (CID 61131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).