2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid

C8H9F3N2O3S — CID 175022163

IUPAC2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)c(NN)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-4-2-3-5(17(14,15)16)7(13-12)6(4)8(9,10)11/h2-3,13H,12H2,1H3,(H,14,15,16)
InChIKeyLHKOKWWOYVVREY-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.55
Rot. Bonds2

About 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid

2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid (PubChem CID 175022163) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid
PubChem CID175022163
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)c(NN)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-4-2-3-5(17(14,15)16)7(13-12)6(4)8(9,10)11/h2-3,13H,12H2,1H3,(H,14,15,16)
InChIKeyLHKOKWWOYVVREY-UHFFFAOYSA-N
XLogP1.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(methylamino)benzene-1,3-disulfonic acid
CID 123853688
4-methyl-2-(prop-2-enoylamino)-3-(trifluoromethyl)benzoic acid
CID 176896027
aminourea;5-hydroxy-2-methylbenzenesulfonic acid
CID 87903810
4-ethenyl-3-fluoro-2-(trifluoromethyl)benzenesulfonic acid
CID 126699461
2-methylbenzenesulfonic acid;2,2,2-trifluoroacetic acid
CID 174395609
3-amino-4-methyl-2-sulfanylbenzenesulfonic acid
CID 20504766
2-methylbenzenesulfonic acid
CID 6925
ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonic acid;nickel
CID 174250296
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine
CID 138619915
2-methylbenzenesulfonic acid;bis(N-methylmethanamine);hydrochloride
CID 173034750

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid?
The IUPAC name of 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid (CID 175022163) is 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid.
What is the SMILES notation for 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid?
The canonical SMILES for 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid is Cc1ccc(S(=O)(=O)O)c(NN)c1C(F)(F)F.
What is the InChIKey of 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid?
The InChIKey is LHKOKWWOYVVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-4-2-3-5(17(14,15)16)7(13-12)6(4)8(9,10)11/h2-3,13H,12H2,1H3,(H,14,15,16).
What are the key properties of 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid?
2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid has a molecular weight of 270.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-3-(trifluoromethyl)benzenesulfonic acid is sourced from PubChem (CID 175022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).