3-[(2-methoxyethylsulfamoylamino)methyl]phenol

C10H16N2O4S — CID 114815535

IUPAC3-[(2-methoxyethylsulfamoylamino)methyl]phenol
SMILESCOCCNS(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C10H16N2O4S/c1-16-6-5-11-17(14,15)12-8-9-3-2-4-10(13)7-9/h2-4,7,11-13H,5-6,8H2,1H3
InChIKeyIDBUQVXHYVXABG-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.04
Rot. Bonds7

About 3-[(2-methoxyethylsulfamoylamino)methyl]phenol

3-[(2-methoxyethylsulfamoylamino)methyl]phenol (PubChem CID 114815535) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[(2-methoxyethylsulfamoylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-methoxyethylsulfamoylamino)methyl]phenol
PubChem CID114815535
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-[(2-methoxyethylsulfamoylamino)methyl]phenol
SMILESCOCCNS(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C10H16N2O4S/c1-16-6-5-11-17(14,15)12-8-9-3-2-4-10(13)7-9/h2-4,7,11-13H,5-6,8H2,1H3
InChIKeyIDBUQVXHYVXABG-UHFFFAOYSA-N
XLogP-0.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
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]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144
3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816930
2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
CID 114814135
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
CID 106911371
1-[ethyl(2-methoxyethylsulfamoyl)amino]-3-hydroxybenzene
CID 107736611
N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]phenol?
The IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]phenol (CID 114815535) is 3-[(2-methoxyethylsulfamoylamino)methyl]phenol.
What is the SMILES notation for 3-[(2-methoxyethylsulfamoylamino)methyl]phenol?
The canonical SMILES for 3-[(2-methoxyethylsulfamoylamino)methyl]phenol is COCCNS(=O)(=O)NCc1cccc(O)c1.
What is the InChIKey of 3-[(2-methoxyethylsulfamoylamino)methyl]phenol?
The InChIKey is IDBUQVXHYVXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-16-6-5-11-17(14,15)12-8-9-3-2-4-10(13)7-9/h2-4,7,11-13H,5-6,8H2,1H3.
What are the key properties of 3-[(2-methoxyethylsulfamoylamino)methyl]phenol?
3-[(2-methoxyethylsulfamoylamino)methyl]phenol has a molecular weight of 260.31 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylsulfamoylamino)methyl]phenol is sourced from PubChem (CID 114815535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).