2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

C10H9F3N2O5S — CID 154136746

IUPAC2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESCC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O5S/c1-4(16)15-7-3-6(10(11,12)13)8(21(14,19)20)2-5(7)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
InChIKeyAKSYSCYGXXOWNY-UHFFFAOYSA-N
MW326.25 g/mol
LogP1.01
Rot. Bonds3

About 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (PubChem CID 154136746) has the molecular formula C10H9F3N2O5S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
PubChem CID154136746
Molecular FormulaC10H9F3N2O5S
Molecular Weight326.25 g/mol
Exact Mass326.02
IUPAC Name2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESCC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O5S/c1-4(16)15-7-3-6(10(11,12)13)8(21(14,19)20)2-5(7)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
InChIKeyAKSYSCYGXXOWNY-UHFFFAOYSA-N
XLogP1.01
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
CID 154143738
2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154253668
2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154304142
4-fluoro-5-sulfamoyl-2-(trifluoromethyl)benzoic acid
CID 22101420
2-[cyclopent-3-en-1-yl(methyl)amino]-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154350671
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
2-chloro-5-(methylsulfamoyl)-4-(trifluoromethyl)benzoic acid
CID 154231211
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (CID 154136746) is 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is CC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is AKSYSCYGXXOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O5S/c1-4(16)15-7-3-6(10(11,12)13)8(21(14,19)20)2-5(7)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18)(H2,14,19,20).
What are the key properties of 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 326.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 154136746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).