4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C11H13ClF3NO3S — CID 103918517

IUPAC4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-4-3-7(12)5-9(10)11(13,14)15/h3-5,8,16-17H,2,6H2,1H3/t8-/m1/s1
InChIKeyQATMESOKMPUHSG-MRVPVSSYSA-N
MW331.74 g/mol
LogP2.41
Rot. Bonds5

About 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 103918517) has the molecular formula C11H13ClF3NO3S and a molecular weight of 331.74 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID103918517
Molecular FormulaC11H13ClF3NO3S
Molecular Weight331.74 g/mol
Exact Mass331.03
IUPAC Name4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-4-3-7(12)5-9(10)11(13,14)15/h3-5,8,16-17H,2,6H2,1H3/t8-/m1/s1
InChIKeyQATMESOKMPUHSG-MRVPVSSYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 103918517) is 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QATMESOKMPUHSG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-4-3-7(12)5-9(10)11(13,14)15/h3-5,8,16-17H,2,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 103918517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).