N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide

C18H23NO3S — CID 121112268

IUPACN-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCC(CCO)c1ccccc1
InChIInChI=1S/C18H23NO3S/c20-14-12-18(17-9-5-2-6-10-17)11-13-19-23(21,22)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2
InChIKeyDSOBKXDQJYPGRZ-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.66
Rot. Bonds9

About N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide

N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide (PubChem CID 121112268) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
PubChem CID121112268
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCC(CCO)c1ccccc1
InChIInChI=1S/C18H23NO3S/c20-14-12-18(17-9-5-2-6-10-17)11-13-19-23(21,22)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2
InChIKeyDSOBKXDQJYPGRZ-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
2,5-dichloro-N-[(3R)-5-hydroxy-3-phenylpentyl]benzenesulfonamide
CID 99872882
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
3,6-diphenylhexan-1-ol
CID 54360227
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(5-hydroxy-3-phenylpentyl)-3-nitrobenzenesulfonamide
CID 121112304
N-(5-hydroxy-3-phenylpentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121112316

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide (CID 121112268) is N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCC(CCO)c1ccccc1.
What is the InChIKey of N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide?
The InChIKey is DSOBKXDQJYPGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c20-14-12-18(17-9-5-2-6-10-17)11-13-19-23(21,22)15-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2.
What are the key properties of N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide?
N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 121112268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).