4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C14H14ClNO3S — CID 25263464

IUPAC4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyXRIODHRHDROGAB-CQSZACIVSA-N
MW311.79 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 25263464) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID25263464
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyXRIODHRHDROGAB-CQSZACIVSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 25263464) is 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is XRIODHRHDROGAB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1.
What are the key properties of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 25263464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).