N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide

C17H21NO3S — CID 110603663

IUPACN-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-4-6-16(7-5-14)13-22(20,21)18-12-2-3-15-8-10-17(19)11-9-15/h4-11,18-19H,2-3,12-13H2,1H3
InChIKeyFJLDZVAYUHTAOV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.75
Rot. Bonds7

About N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide

N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110603663) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110603663
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-4-6-16(7-5-14)13-22(20,21)18-12-2-3-15-8-10-17(19)11-9-15/h4-11,18-19H,2-3,12-13H2,1H3
InChIKeyFJLDZVAYUHTAOV-UHFFFAOYSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide
CID 102260980
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16890891
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110423618
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide (CID 110603663) is N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is FJLDZVAYUHTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-4-6-16(7-5-14)13-22(20,21)18-12-2-3-15-8-10-17(19)11-9-15/h4-11,18-19H,2-3,12-13H2,1H3.
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide?
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110603663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).