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

C14H13ClFNO3S — CID 103837095

IUPAC3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFNO3S/c15-11-7-4-8-13(14(11)16)21(19,20)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,17-18H,9H2/t12-/m0/s1
InChIKeyWTZBJNGHDUHTTP-LBPRGKRZSA-N
MW329.78 g/mol
LogP2.49
Rot. Bonds5

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

3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 103837095) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID103837095
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFNO3S/c15-11-7-4-8-13(14(11)16)21(19,20)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,17-18H,9H2/t12-/m0/s1
InChIKeyWTZBJNGHDUHTTP-LBPRGKRZSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]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

2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 103837095) is 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is WTZBJNGHDUHTTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c15-11-7-4-8-13(14(11)16)21(19,20)17-12(9-18)10-5-2-1-3-6-10/h1-8,12,17-18H,9H2/t12-/m0/s1.
What are the key properties of 3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.49, 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)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103837095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).