2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide

C9H10F4N2O2S — CID 106293975

IUPAC2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2S/c10-8(11)9(12,13)5-15-6-3-1-2-4-7(6)18(14,16)17/h1-4,8,15H,5H2,(H2,14,16,17)
InChIKeyYHJFWKZFJXUZAO-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide

2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide (PubChem CID 106293975) has the molecular formula C9H10F4N2O2S and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
PubChem CID106293975
Molecular FormulaC9H10F4N2O2S
Molecular Weight286.25 g/mol
Exact Mass286.04
IUPAC Name2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2S/c10-8(11)9(12,13)5-15-6-3-1-2-4-7(6)18(14,16)17/h1-4,8,15H,5H2,(H2,14,16,17)
InChIKeyYHJFWKZFJXUZAO-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide (CID 106293975) is 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide?
The InChIKey is YHJFWKZFJXUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2S/c10-8(11)9(12,13)5-15-6-3-1-2-4-7(6)18(14,16)17/h1-4,8,15H,5H2,(H2,14,16,17).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide?
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide has a molecular weight of 286.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide is sourced from PubChem (CID 106293975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).