N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide

C11H17NO4S — CID 63290144

IUPACN-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO4S/c1-16-6-3-7-17(14,15)12-9-10-4-2-5-11(13)8-10/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyOWEJOSOSFLRZNI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.85
Rot. Bonds7

About N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide

N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 63290144) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID63290144
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO4S/c1-16-6-3-7-17(14,15)12-9-10-4-2-5-11(13)8-10/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyOWEJOSOSFLRZNI-UHFFFAOYSA-N
XLogP0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63288050
4-[(3-methoxypropylsulfonylamino)methyl]benzoic acid
CID 63289850
N-[[4-(bromomethyl)phenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 107233984
3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
CID 55014687
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
methyl 4-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]butanoate
CID 63311717
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
CID 51107732

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide (CID 63290144) is N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is OWEJOSOSFLRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-6-3-7-17(14,15)12-9-10-4-2-5-11(13)8-10/h2,4-5,8,12-13H,3,6-7,9H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).