2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C14H13Cl2NO3S — CID 103837069

IUPAC2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9H2/t13-/m0/s1
InChIKeyOLIXVEOMQCJRSN-ZDUSSCGKSA-N
MW346.24 g/mol
LogP3.01
Rot. Bonds5

About 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 103837069) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID103837069
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9H2/t13-/m0/s1
InChIKeyOLIXVEOMQCJRSN-ZDUSSCGKSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 103837069) is 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is OLIXVEOMQCJRSN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9H2/t13-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103837069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).