4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid

C7H7F3N2O5S2 — CID 174929186

IUPAC4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
SMILESNc1cc(C(F)(F)F)c(S(=O)(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C7H7F3N2O5S2/c8-7(9,10)3-1-4(11)6(18(12,13)14)2-5(3)19(15,16)17/h1-2H,11H2,(H2,12,13,14)(H,15,16,17)
InChIKeyXQNZUARTJFOFBI-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.18
Rot. Bonds2

About 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid

4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid (PubChem CID 174929186) has the molecular formula C7H7F3N2O5S2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid.

Molecular Properties

Compound Name4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
PubChem CID174929186
Molecular FormulaC7H7F3N2O5S2
Molecular Weight320.27 g/mol
Exact Mass319.97
IUPAC Name4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
SMILESNc1cc(C(F)(F)F)c(S(=O)(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C7H7F3N2O5S2/c8-7(9,10)3-1-4(11)6(18(12,13)14)2-5(3)19(15,16)17/h1-2H,11H2,(H2,12,13,14)(H,15,16,17)
InChIKeyXQNZUARTJFOFBI-UHFFFAOYSA-N
XLogP0.18
TPSA140.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
CID 165351769
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
5-amino-2-[4-amino-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonic acid
CID 87764572
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
2-amino-5-nitro-3-(trifluoromethyl)benzenesulfonic acid
CID 23216665
2,5-bis(trifluoromethylsulfonyl)benzene-1,4-diamine
CID 177446301

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid?
The IUPAC name of 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid (CID 174929186) is 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid.
What is the SMILES notation for 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid?
The canonical SMILES for 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid is Nc1cc(C(F)(F)F)c(S(=O)(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid?
The InChIKey is XQNZUARTJFOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O5S2/c8-7(9,10)3-1-4(11)6(18(12,13)14)2-5(3)19(15,16)17/h1-2H,11H2,(H2,12,13,14)(H,15,16,17).
What are the key properties of 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid?
4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid has a molecular weight of 320.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid is sourced from PubChem (CID 174929186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).