2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide

C17H19Cl2NO3S — CID 99872882

IUPAC2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO3S/c18-15-6-7-16(19)17(12-15)24(22,23)20-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-7,12,14,20-21H,8-11H2/t14-/m1/s1
InChIKeyWCJAXCAYASWYNI-CQSZACIVSA-N
MW388.32 g/mol
LogP3.83
Rot. Bonds8

About 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide

2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide (PubChem CID 99872882) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
PubChem CID99872882
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO3S/c18-15-6-7-16(19)17(12-15)24(22,23)20-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-7,12,14,20-21H,8-11H2/t14-/m1/s1
InChIKeyWCJAXCAYASWYNI-CQSZACIVSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
CID 121112268
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide (CID 99872882) is 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide is O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide?
The InChIKey is WCJAXCAYASWYNI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c18-15-6-7-16(19)17(12-15)24(22,23)20-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-7,12,14,20-21H,8-11H2/t14-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide?
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide is sourced from PubChem (CID 99872882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).