4-aminobenzenesulfonamide;fluoromethane

C7H11FN2O2S — CID 159574204

IUPAC4-aminobenzenesulfonamide;fluoromethane
SMILESCF.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.CH3F/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);1H3
InChIKeyMIEQXKLRJRORIO-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.50
Rot. Bonds1

About 4-aminobenzenesulfonamide;fluoromethane

4-aminobenzenesulfonamide;fluoromethane (PubChem CID 159574204) has the molecular formula C7H11FN2O2S and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;fluoromethane.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;fluoromethane
PubChem CID159574204
Molecular FormulaC7H11FN2O2S
Molecular Weight206.24 g/mol
Exact Mass206.05
IUPAC Name4-aminobenzenesulfonamide;fluoromethane
SMILESCF.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.CH3F/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);1H3
InChIKeyMIEQXKLRJRORIO-UHFFFAOYSA-N
XLogP0.50
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 159358457
CID 159358457
4-aminobenzenesulfonamide;fluoroform
CID 121362415
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
acetamide;4-aminobenzenesulfonamide
CID 175093651
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
4-aminobenzenesulfonamide;5-methylpyrimidine
CID 174451060
4-aminobenzenesulfonamide;3-methylbenzene-1,2-diol
CID 174437033
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
CID 66808736
4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
CID 69140999
4-aminobenzenesulfonamide;1-bromo-2-(trifluoromethyl)benzene
CID 174933416

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;fluoromethane?
The IUPAC name of 4-aminobenzenesulfonamide;fluoromethane (CID 159574204) is 4-aminobenzenesulfonamide;fluoromethane.
What is the SMILES notation for 4-aminobenzenesulfonamide;fluoromethane?
The canonical SMILES for 4-aminobenzenesulfonamide;fluoromethane is CF.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;fluoromethane?
The InChIKey is MIEQXKLRJRORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.CH3F/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);1H3.
What are the key properties of 4-aminobenzenesulfonamide;fluoromethane?
4-aminobenzenesulfonamide;fluoromethane has a molecular weight of 206.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;fluoromethane is sourced from PubChem (CID 159574204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).