2-phenylethanol;sulfamic acid

C8H13NO4S — CID 67854690

IUPAC2-phenylethanol;sulfamic acid
SMILESNS(=O)(=O)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.H3NO3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9H,6-7H2;(H3,1,2,3,4)
InChIKeyUROZDQLGHYNBHV-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.03
Rot. Bonds2

About 2-phenylethanol;sulfamic acid

2-phenylethanol;sulfamic acid (PubChem CID 67854690) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-phenylethanol;sulfamic acid.

Molecular Properties

Compound Name2-phenylethanol;sulfamic acid
PubChem CID67854690
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-phenylethanol;sulfamic acid
SMILESNS(=O)(=O)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.H3NO3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9H,6-7H2;(H3,1,2,3,4)
InChIKeyUROZDQLGHYNBHV-UHFFFAOYSA-N
XLogP-0.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenylethanol;sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;2-phenylethanol
CID 143785167
2-phenylethanol;propanoic acid
CID 70495468
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764
2-ethylphenol;2-phenylethanol
CID 157102342
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
butane-2,3-diol;2-phenylethanol
CID 175116943
2-amino-3-phenylpropanoic acid;2-phenylethanol
CID 174842884
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
chlorobenzene;sulfamic acid
CID 70097834
phenol;sulfamic acid
CID 20568806
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanol;sulfamic acid?
The IUPAC name of 2-phenylethanol;sulfamic acid (CID 67854690) is 2-phenylethanol;sulfamic acid.
What is the SMILES notation for 2-phenylethanol;sulfamic acid?
The canonical SMILES for 2-phenylethanol;sulfamic acid is NS(=O)(=O)O.OCCc1ccccc1.
What is the InChIKey of 2-phenylethanol;sulfamic acid?
The InChIKey is UROZDQLGHYNBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.H3NO3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9H,6-7H2;(H3,1,2,3,4).
What are the key properties of 2-phenylethanol;sulfamic acid?
2-phenylethanol;sulfamic acid has a molecular weight of 219.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanol;sulfamic acid is sourced from PubChem (CID 67854690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).