5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide

C7H6ClF3N2O2S — CID 131462426

IUPAC5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c8-4-1-3(7(9,10)11)5(12)2-6(4)16(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyLVZDEJURKKNQGI-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.59
Rot. Bonds1

About 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide

5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 131462426) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
PubChem CID131462426
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c8-4-1-3(7(9,10)11)5(12)2-6(4)16(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyLVZDEJURKKNQGI-UHFFFAOYSA-N
XLogP1.59
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.59
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

4-amino-2-chloro-5-(trifluoromethyl)phenol
CID 131210150
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
5-amino-2-chloro-4-(trifluoromethyl)benzamide
CID 131460554
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
CID 174929186
5-bromo-2-chloro-4-(trifluoromethyl)aniline
CID 121227632
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
4-amino-2-chlorobenzenesulfonamide
CID 12533522
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide (CID 131462426) is 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide is Nc1cc(S(N)(=O)=O)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LVZDEJURKKNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c8-4-1-3(7(9,10)11)5(12)2-6(4)16(13,14)15/h1-2H,12H2,(H2,13,14,15).
What are the key properties of 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 274.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 131462426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).