2-(propan-2-ylsulfonimidoyl)phenol

C9H13NO2S — CID 130034492

IUPAC2-(propan-2-ylsulfonimidoyl)phenol
SMILES[H]N=S(=O)(c1ccccc1O)C(C)C
InChIInChI=1S/C9H13NO2S/c1-7(2)13(10,12)9-6-4-3-5-8(9)11/h3-7,10-11H,1-2H3
InChIKeyHTFVPQWTLDDQLE-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.21
Rot. Bonds2

About 2-(propan-2-ylsulfonimidoyl)phenol

2-(propan-2-ylsulfonimidoyl)phenol (PubChem CID 130034492) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonimidoyl)phenol.

Molecular Properties

Compound Name2-(propan-2-ylsulfonimidoyl)phenol
PubChem CID130034492
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(propan-2-ylsulfonimidoyl)phenol
SMILES[H]N=S(=O)(c1ccccc1O)C(C)C
InChIInChI=1S/C9H13NO2S/c1-7(2)13(10,12)9-6-4-3-5-8(9)11/h3-7,10-11H,1-2H3
InChIKeyHTFVPQWTLDDQLE-UHFFFAOYSA-N
XLogP2.21
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylsulfonylphenol
CID 587650
2-(tert-butylsulfonimidoyl)phenol
CID 25041022
2-hydroxybenzenesulfonic acid;N-methylmethanamine
CID 87510356
3-but-3-en-2-yloxybut-1-ene;2-hydroxybenzenesulfonic acid
CID 174539210
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
2-(triethyl-λ4-sulfanyl)phenol
CID 139364541
phenol;sulfamic acid
CID 20568806
2-(trifluoromethylsulfonyl)phenol
CID 15731663
2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 81241920
2-hydroxybenzenesulfonic acid;3-hydroxy-2-methoxybenzenesulfonic acid
CID 87858666
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
CID 162446270
2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81242025

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonimidoyl)phenol?
The IUPAC name of 2-(propan-2-ylsulfonimidoyl)phenol (CID 130034492) is 2-(propan-2-ylsulfonimidoyl)phenol.
What is the SMILES notation for 2-(propan-2-ylsulfonimidoyl)phenol?
The canonical SMILES for 2-(propan-2-ylsulfonimidoyl)phenol is [H]N=S(=O)(c1ccccc1O)C(C)C.
What is the InChIKey of 2-(propan-2-ylsulfonimidoyl)phenol?
The InChIKey is HTFVPQWTLDDQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(2)13(10,12)9-6-4-3-5-8(9)11/h3-7,10-11H,1-2H3.
What are the key properties of 2-(propan-2-ylsulfonimidoyl)phenol?
2-(propan-2-ylsulfonimidoyl)phenol has a molecular weight of 199.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonimidoyl)phenol is sourced from PubChem (CID 130034492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).