5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide

C15H15ClFNO3S — CID 53240243

IUPAC5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO3S/c16-12-6-7-14(17)15(9-12)22(20,21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,18-19H,8,10H2/t13-/m1/s1
InChIKeyJHCCHDINWXKMPQ-CYBMUJFWSA-N
MW343.81 g/mol
LogP2.36
Rot. Bonds6

About 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide

5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 53240243) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID53240243
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO3S/c16-12-6-7-14(17)15(9-12)22(20,21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,18-19H,8,10H2/t13-/m1/s1
InChIKeyJHCCHDINWXKMPQ-CYBMUJFWSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]benzenesulfonamide
CID 25263463
3-chloro-4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
CID 44418713
4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
CID 54757965
(S)-4-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 25263464
3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
CID 891194
3-chloro-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 45479953
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 45479954
5-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 45479962
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 45480008
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-2-fluoro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 53245325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide (CID 53240243) is 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide is O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is JHCCHDINWXKMPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c16-12-6-7-14(17)15(9-12)22(20,21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,18-19H,8,10H2/t13-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 53240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).