N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide

C11H17NO3S — CID 110667285

IUPACN-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)12-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9,12-13H,2,4,6,8H2,1H3
InChIKeyPHIXTWPBUQKOJR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide

N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide (PubChem CID 110667285) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
PubChem CID110667285
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)12-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9,12-13H,2,4,6,8H2,1H3
InChIKeyPHIXTWPBUQKOJR-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.26
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

N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-octacosylphenol
CID 101292719
3-hentriacontylphenol
CID 101292722
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide (CID 110667285) is N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCc1cccc(O)c1.
What is the InChIKey of N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide?
The InChIKey is PHIXTWPBUQKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-16(14,15)12-8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9,12-13H,2,4,6,8H2,1H3.
What are the key properties of N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide?
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide is sourced from PubChem (CID 110667285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).