N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H16F3NO4S — CID 90499413

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H16F3NO4S/c1-12(18,9-2-3-9)8-17-22(19,20)11-6-4-10(5-7-11)21-13(14,15)16/h4-7,9,17-18H,2-3,8H2,1H3
InChIKeyPIVVGXRUEMWNEX-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.02
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90499413) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90499413
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H16F3NO4S/c1-12(18,9-2-3-9)8-17-22(19,20)11-6-4-10(5-7-11)21-13(14,15)16/h4-7,9,17-18H,2-3,8H2,1H3
InChIKeyPIVVGXRUEMWNEX-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119573275
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 78770478
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 90499413) is N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PIVVGXRUEMWNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c1-12(18,9-2-3-9)8-17-22(19,20)11-6-4-10(5-7-11)21-13(14,15)16/h4-7,9,17-18H,2-3,8H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 339.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90499413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).