3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide

C15H12ClF4NO3S — CID 56764231

IUPAC3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF4NO3S/c16-12-8-11(6-7-13(12)17)25(23,24)21-9-14(22,15(18,19)20)10-4-2-1-3-5-10/h1-8,21-22H,9H2
InChIKeyIUIJUWZJGIZDEH-UHFFFAOYSA-N
MW397.78 g/mol
LogP3.21
Rot. Bonds5

About 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (PubChem CID 56764231) has the molecular formula C15H12ClF4NO3S and a molecular weight of 397.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
PubChem CID56764231
Molecular FormulaC15H12ClF4NO3S
Molecular Weight397.78 g/mol
Exact Mass397.02
IUPAC Name3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF4NO3S/c16-12-8-11(6-7-13(12)17)25(23,24)21-9-14(22,15(18,19)20)10-4-2-1-3-5-10/h1-8,21-22H,9H2
InChIKeyIUIJUWZJGIZDEH-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764230
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764227
N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 56765389
2-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (CID 56764231) is 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The InChIKey is IUIJUWZJGIZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4NO3S/c16-12-8-11(6-7-13(12)17)25(23,24)21-9-14(22,15(18,19)20)10-4-2-1-3-5-10/h1-8,21-22H,9H2.
What are the key properties of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide has a molecular weight of 397.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 56764231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).