4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C15H19ClF3NO3S — CID 75444567

IUPAC4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(O)C1(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H19ClF3NO3S/c1-9(2)13(21)14(5-6-14)8-20-24(22,23)12-4-3-10(16)7-11(12)15(17,18)19/h3-4,7,9,13,20-21H,5-6,8H2,1-2H3
InChIKeyUWSTVFRTPXUVEG-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.43
Rot. Bonds6

About 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 75444567) has the molecular formula C15H19ClF3NO3S and a molecular weight of 385.84 g/mol. Its IUPAC name is 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID75444567
Molecular FormulaC15H19ClF3NO3S
Molecular Weight385.84 g/mol
Exact Mass385.07
IUPAC Name4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(O)C1(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H19ClF3NO3S/c1-9(2)13(21)14(5-6-14)8-20-24(22,23)12-4-3-10(16)7-11(12)15(17,18)19/h3-4,7,9,13,20-21H,5-6,8H2,1-2H3
InChIKeyUWSTVFRTPXUVEG-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 103918517
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-chloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24556301
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43008808
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 75444567) is 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is CC(C)C(O)C1(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UWSTVFRTPXUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO3S/c1-9(2)13(21)14(5-6-14)8-20-24(22,23)12-4-3-10(16)7-11(12)15(17,18)19/h3-4,7,9,13,20-21H,5-6,8H2,1-2H3.
What are the key properties of 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75444567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).