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

C15H15ClFNO3S — CID 46902198

IUPAC3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESCC(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-/m0/s1
InChIKeyVGMGOCHZVULEKD-WRXSAAJRSA-N
MW343.81 g/mol
LogP2.88
Rot. Bonds5

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

3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 46902198) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
PubChem CID46902198
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESCC(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-/m0/s1
InChIKeyVGMGOCHZVULEKD-WRXSAAJRSA-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (CID 46902198) is 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1.
What is the InChIKey of 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is VGMGOCHZVULEKD-WRXSAAJRSA-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-/m0/s1.
What are the key properties of 3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
3-chloro-2-fluoro-N-[(1R)-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)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 46902198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).