3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide

C11H16ClNO3S — CID 107863619

IUPAC3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N[C@H](CO)c1ccccc1
InChIInChI=1S/C11H16ClNO3S/c12-7-4-8-17(15,16)13-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-/m1/s1
InChIKeyXWTSUUFARNJCIY-LLVKDONJSA-N
MW277.77 g/mol
LogP1.27
Rot. Bonds7

About 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide

3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide (PubChem CID 107863619) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
PubChem CID107863619
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N[C@H](CO)c1ccccc1
InChIInChI=1S/C11H16ClNO3S/c12-7-4-8-17(15,16)13-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-/m1/s1
InChIKeyXWTSUUFARNJCIY-LLVKDONJSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide
CID 97239230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide (CID 107863619) is 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide is O=S(=O)(CCCCl)N[C@H](CO)c1ccccc1.
What is the InChIKey of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide?
The InChIKey is XWTSUUFARNJCIY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c12-7-4-8-17(15,16)13-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-/m1/s1.
What are the key properties of 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide?
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide is sourced from PubChem (CID 107863619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).