N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide

C19H25NO4S — CID 99872864

IUPACN-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC[C@H](CCO)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO4S/c1-15-14-18(24-2)8-9-19(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/t17-/m1/s1
InChIKeyQXDWRFOOEHLOEZ-QGZVFWFLSA-N
MW363.48 g/mol
LogP2.84
Rot. Bonds9

About N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 99872864) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID99872864
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC[C@H](CCO)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO4S/c1-15-14-18(24-2)8-9-19(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/t17-/m1/s1
InChIKeyQXDWRFOOEHLOEZ-QGZVFWFLSA-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-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
CID 99872882
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide (CID 99872864) is N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC[C@H](CCO)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is QXDWRFOOEHLOEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-15-14-18(24-2)8-9-19(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/t17-/m1/s1.
What are the key properties of N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-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-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 99872864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).