2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H13ClF3NO3S — CID 56765480

IUPAC2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-12-3-1-2-4-14(12)24(22,23)20-9-13(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20-21H,9H2
InChIKeyQAEBVIALQIFUBD-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.37
Rot. Bonds5

About 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 56765480) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID56765480
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-12-3-1-2-4-14(12)24(22,23)20-9-13(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20-21H,9H2
InChIKeyQAEBVIALQIFUBD-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
5-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 45479962
3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 46902198
3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 53240237
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764231
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764230
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781997
3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide
CID 71782280
(S)-3-(3-chloro-2-tolylsulfonylamino)-1,1,1-trifluoro-2-phenyl-2-propanol
CID 95367405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 56765480) is 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is QAEBVIALQIFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c16-12-3-1-2-4-14(12)24(22,23)20-9-13(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20-21H,9H2.
What are the key properties of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 56765480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).