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

C15H15ClFNO3S — CID 53240237

IUPAC3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1
InChIInChI=1S/C15H15ClFNO3S/c1-10(15(19)11-6-3-2-4-7-11)18-22(20,21)13-9-5-8-12(16)14(13)17/h2-10,15,18-19H,1H3/t10-,15+/m1/s1
InChIKeyVGMGOCHZVULEKD-BMIGLBTASA-N
MW343.81 g/mol
LogP2.88
Rot. Bonds5

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

3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 53240237) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
PubChem CID53240237
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1
InChIInChI=1S/C15H15ClFNO3S/c1-10(15(19)11-6-3-2-4-7-11)18-22(20,21)13-9-5-8-12(16)14(13)17/h2-10,15,18-19H,1H3/t10-,15+/m1/s1
InChIKeyVGMGOCHZVULEKD-BMIGLBTASA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 53240243
3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
(S)-4-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 25263464
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
3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 46902198
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764231
4-Chloro-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-benzenesulfonamide
CID 3864270
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
N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 2812773
5-chloro-N-(2-hydroxy-3-phenylpropyl)-2-methylbenzenesulfonamide
CID 56765296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (CID 53240237) is 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1.
What is the InChIKey of 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is VGMGOCHZVULEKD-BMIGLBTASA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-10(15(19)11-6-3-2-4-7-11)18-22(20,21)13-9-5-8-12(16)14(13)17/h2-10,15,18-19H,1H3/t10-,15+/m1/s1.
What are the key properties of 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 53240237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).