N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide

C10H10F3NO3S — CID 138985371

IUPACN-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)8-5-7(15)3-4-9(8)18(16,17)14-6-1-2-6/h3-6,14-15H,1-2H2
InChIKeyYBEKEIKVOQPMSV-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.85
Rot. Bonds3

About N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide

N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 138985371) has the molecular formula C10H10F3NO3S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
PubChem CID138985371
Molecular FormulaC10H10F3NO3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC NameN-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)8-5-7(15)3-4-9(8)18(16,17)14-6-1-2-6/h3-6,14-15H,1-2H2
InChIKeyYBEKEIKVOQPMSV-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide (CID 138985371) is N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YBEKEIKVOQPMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)8-5-7(15)3-4-9(8)18(16,17)14-6-1-2-6/h3-6,14-15H,1-2H2.
What are the key properties of N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide?
N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 281.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 138985371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).