4-amino-2-(trifluoromethyl)benzenesulfonamide

C7H7F3N2O2S — CID 10610060

IUPAC4-amino-2-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)5-3-4(11)1-2-6(5)15(12,13)14/h1-3H,11H2,(H2,12,13,14)
InChIKeyCALQXFVRYGMKRS-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.94
Rot. Bonds1

About 4-amino-2-(trifluoromethyl)benzenesulfonamide

4-amino-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 10610060) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)benzenesulfonamide
PubChem CID10610060
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name4-amino-2-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)5-3-4(11)1-2-6(5)15(12,13)14/h1-3H,11H2,(H2,12,13,14)
InChIKeyCALQXFVRYGMKRS-UHFFFAOYSA-N
XLogP0.94
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.94
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

3-[4-amino-2-(trifluoromethyl)phenyl]sulfonyl-4-methylbenzenesulfonamide
CID 70564158
4-[4-[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-3-(trifluoromethyl)phenyl]sulfonyl-3-(trifluoromethyl)aniline
CID 148946042
4-amino-2-chlorobenzenesulfonamide
CID 12533522
3-fluoro-4-(trifluoromethylsulfonyl)aniline
CID 81192069
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
CID 154168483
4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
CID 174929186
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
CID 165351769
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
CID 70908235

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-(trifluoromethyl)benzenesulfonamide (CID 10610060) is 4-amino-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-(trifluoromethyl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CALQXFVRYGMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-3-4(11)1-2-6(5)15(12,13)14/h1-3H,11H2,(H2,12,13,14).
What are the key properties of 4-amino-2-(trifluoromethyl)benzenesulfonamide?
4-amino-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 240.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10610060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).