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

C15H13ClF3NO3S — CID 71781997

IUPAC2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2
InChIKeyLFKHGFKEZNRHHX-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.07
Rot. Bonds5

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

2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (PubChem CID 71781997) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
PubChem CID71781997
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2
InChIKeyLFKHGFKEZNRHHX-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
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
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (CID 71781997) is 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The InChIKey is LFKHGFKEZNRHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2.
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 71781997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).