[4-(hydroxymethyl)phenyl]sulfamic acid

C7H9NO4S — CID 141443136

IUPAC[4-(hydroxymethyl)phenyl]sulfamic acid
SMILESO=S(=O)(O)Nc1ccc(CO)cc1
InChIInChI=1S/C7H9NO4S/c9-5-6-1-3-7(4-2-6)8-13(10,11)12/h1-4,8-9H,5H2,(H,10,11,12)
InChIKeyREOKIGNEGIXANB-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.39
Rot. Bonds3

About [4-(hydroxymethyl)phenyl]sulfamic acid

[4-(hydroxymethyl)phenyl]sulfamic acid (PubChem CID 141443136) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]sulfamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]sulfamic acid
PubChem CID141443136
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name[4-(hydroxymethyl)phenyl]sulfamic acid
SMILESO=S(=O)(O)Nc1ccc(CO)cc1
InChIInChI=1S/C7H9NO4S/c9-5-6-1-3-7(4-2-6)8-13(10,11)12/h1-4,8-9H,5H2,(H,10,11,12)
InChIKeyREOKIGNEGIXANB-UHFFFAOYSA-N
XLogP0.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[4-(chloromethyl)phenyl]sulfamic acid
CID 67380379
1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64795267
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
phenylsulfamic acid
CID 160771078
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886
4-(hydroxymethyl)benzenesulfonic acid;methanesulfonic acid
CID 166731783
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]sulfamic acid?
The IUPAC name of [4-(hydroxymethyl)phenyl]sulfamic acid (CID 141443136) is [4-(hydroxymethyl)phenyl]sulfamic acid.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]sulfamic acid?
The canonical SMILES for [4-(hydroxymethyl)phenyl]sulfamic acid is O=S(=O)(O)Nc1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]sulfamic acid?
The InChIKey is REOKIGNEGIXANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c9-5-6-1-3-7(4-2-6)8-13(10,11)12/h1-4,8-9H,5H2,(H,10,11,12).
What are the key properties of [4-(hydroxymethyl)phenyl]sulfamic acid?
[4-(hydroxymethyl)phenyl]sulfamic acid has a molecular weight of 203.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]sulfamic acid is sourced from PubChem (CID 141443136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).