4-chloro-2-propylsulfonylphenol

C9H11ClO3S — CID 71443861

IUPAC4-chloro-2-propylsulfonylphenol
SMILESCCCS(=O)(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H11ClO3S/c1-2-5-14(12,13)9-6-7(10)3-4-8(9)11/h3-4,6,11H,2,5H2,1H3
InChIKeyMMPYRYPLXVHUCG-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-2-propylsulfonylphenol

4-chloro-2-propylsulfonylphenol (PubChem CID 71443861) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 4-chloro-2-propylsulfonylphenol.

Molecular Properties

Compound Name4-chloro-2-propylsulfonylphenol
PubChem CID71443861
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name4-chloro-2-propylsulfonylphenol
SMILESCCCS(=O)(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H11ClO3S/c1-2-5-14(12,13)9-6-7(10)3-4-8(9)11/h3-4,6,11H,2,5H2,1H3
InChIKeyMMPYRYPLXVHUCG-UHFFFAOYSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methylsulfonylphenol
CID 130032505
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
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N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
4-chloro-2-(ethylamino)phenol
CID 15847212
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 166396302
(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
CID 141360139
4-amino-2-(2-methoxyethylsulfonyl)phenol
CID 121356121
2-(2-tert-butylsulfonylethylsulfonyl)-4-chloroaniline
CID 106735680
4-bromo-3-propylsulfonylbenzenesulfonamide
CID 54596102
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propylsulfonylphenol?
The IUPAC name of 4-chloro-2-propylsulfonylphenol (CID 71443861) is 4-chloro-2-propylsulfonylphenol.
What is the SMILES notation for 4-chloro-2-propylsulfonylphenol?
The canonical SMILES for 4-chloro-2-propylsulfonylphenol is CCCS(=O)(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-propylsulfonylphenol?
The InChIKey is MMPYRYPLXVHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-2-5-14(12,13)9-6-7(10)3-4-8(9)11/h3-4,6,11H,2,5H2,1H3.
What are the key properties of 4-chloro-2-propylsulfonylphenol?
4-chloro-2-propylsulfonylphenol has a molecular weight of 234.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propylsulfonylphenol is sourced from PubChem (CID 71443861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).