4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid

C11H10F3NO4S — CID 68756811

IUPAC4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3NO4S/c12-11(13,14)9-5-7(3-4-8(9)10(16)17)20(18,19)15-6-1-2-6/h3-6,15H,1-2H2,(H,16,17)
InChIKeyGRKBHJHNBLSWGF-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.84
Rot. Bonds4

About 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid

4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 68756811) has the molecular formula C11H10F3NO4S and a molecular weight of 309.27 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
PubChem CID68756811
Molecular FormulaC11H10F3NO4S
Molecular Weight309.27 g/mol
Exact Mass309.03
IUPAC Name4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3NO4S/c12-11(13,14)9-5-7(3-4-8(9)10(16)17)20(18,19)15-6-1-2-6/h3-6,15H,1-2H2,(H,16,17)
InChIKeyGRKBHJHNBLSWGF-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopropylprop-2-enylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 154805576
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 167755952
4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-(trifluoromethyl)benzoic acid
CID 167954773
3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide
CID 174761203
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
5-(cyclopentylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
CID 99982970

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid (CID 68756811) is 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is GRKBHJHNBLSWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4S/c12-11(13,14)9-5-7(3-4-8(9)10(16)17)20(18,19)15-6-1-2-6/h3-6,15H,1-2H2,(H,16,17).
What are the key properties of 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid?
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 309.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 68756811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).