N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide

C19H25NO4S — CID 121112300

IUPACN-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C19H25NO4S/c1-15-8-9-18(24-2)19(14-15)25(22,23)20-12-10-17(11-13-21)16-6-4-3-5-7-16/h3-9,14,17,20-21H,10-13H2,1-2H3
InChIKeyDWLYBODVEYUCEG-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.84
Rot. Bonds9

About N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide

N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 121112300) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID121112300
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C19H25NO4S/c1-15-8-9-18(24-2)19(14-15)25(22,23)20-12-10-17(11-13-21)16-6-4-3-5-7-16/h3-9,14,17,20-21H,10-13H2,1-2H3
InChIKeyDWLYBODVEYUCEG-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
4-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylbutanoate
CID 4173614
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992365
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
CID 99872882
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide (CID 121112300) is N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCC(CCO)c1ccccc1.
What is the InChIKey of N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is DWLYBODVEYUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-15-8-9-18(24-2)19(14-15)25(22,23)20-12-10-17(11-13-21)16-6-4-3-5-7-16/h3-9,14,17,20-21H,10-13H2,1-2H3.
What are the key properties of N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 121112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).