2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

C9H11Cl2NO3S — CID 83030309

IUPAC2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-6(13)5-12-16(14,15)8-4-2-3-7(10)9(8)11/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1
InChIKeyQTZOQAAMSGPUQC-LURJTMIESA-N
MW284.16 g/mol
LogP1.65
Rot. Bonds4

About 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 83030309) has the molecular formula C9H11Cl2NO3S and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
PubChem CID83030309
Molecular FormulaC9H11Cl2NO3S
Molecular Weight284.16 g/mol
Exact Mass282.98
IUPAC Name2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-6(13)5-12-16(14,15)8-4-2-3-7(10)9(8)11/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1
InChIKeyQTZOQAAMSGPUQC-LURJTMIESA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
N-(2-hydroxypropyl)-2-iodobenzenesulfonamide
CID 167755132
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113318363

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (CID 83030309) is 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is C[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is QTZOQAAMSGPUQC-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2NO3S/c1-6(13)5-12-16(14,15)8-4-2-3-7(10)9(8)11/h2-4,6,12-13H,5H2,1H3/t6-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 284.16 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 83030309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).