4-(1,1-difluoroethylamino)benzenesulfonamide

C8H10F2N2O2S — CID 122179672

IUPAC4-(1,1-difluoroethylamino)benzenesulfonamide
SMILESCC(F)(F)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10F2N2O2S/c1-8(9,10)12-6-2-4-7(5-3-6)15(11,13)14/h2-5,12H,1H3,(H2,11,13,14)
InChIKeyWMUZJEGEFIFACI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds3

About 4-(1,1-difluoroethylamino)benzenesulfonamide

4-(1,1-difluoroethylamino)benzenesulfonamide (PubChem CID 122179672) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(1,1-difluoroethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-difluoroethylamino)benzenesulfonamide
PubChem CID122179672
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name4-(1,1-difluoroethylamino)benzenesulfonamide
SMILESCC(F)(F)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10F2N2O2S/c1-8(9,10)12-6-2-4-7(5-3-6)15(11,13)14/h2-5,12H,1H3,(H2,11,13,14)
InChIKeyWMUZJEGEFIFACI-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethylamino)benzenesulfonamide?
The IUPAC name of 4-(1,1-difluoroethylamino)benzenesulfonamide (CID 122179672) is 4-(1,1-difluoroethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-difluoroethylamino)benzenesulfonamide?
The canonical SMILES for 4-(1,1-difluoroethylamino)benzenesulfonamide is CC(F)(F)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(1,1-difluoroethylamino)benzenesulfonamide?
The InChIKey is WMUZJEGEFIFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-8(9,10)12-6-2-4-7(5-3-6)15(11,13)14/h2-5,12H,1H3,(H2,11,13,14).
What are the key properties of 4-(1,1-difluoroethylamino)benzenesulfonamide?
4-(1,1-difluoroethylamino)benzenesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethylamino)benzenesulfonamide is sourced from PubChem (CID 122179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).