N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide

C9H13NO3S — CID 52911550

IUPACN-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cccc(O)c1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)10-6-5-8-3-2-4-9(11)7-8/h2-4,7,10-11H,5-6H2,1H3
InChIKeyCEQSOLHLQMATKY-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide

N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide (PubChem CID 52911550) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
PubChem CID52911550
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cccc(O)c1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)10-6-5-8-3-2-4-9(11)7-8/h2-4,7,10-11H,5-6H2,1H3
InChIKeyCEQSOLHLQMATKY-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 61399819
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide (CID 52911550) is N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1cccc(O)c1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide?
The InChIKey is CEQSOLHLQMATKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(12,13)10-6-5-8-3-2-4-9(11)7-8/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide?
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 52911550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).