3-[1-(4-chlorophenyl)sulfonylpropyl]phenol

C15H15ClO3S — CID 123247105

IUPAC3-[1-(4-chlorophenyl)sulfonylpropyl]phenol
SMILESCCC(c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3S/c1-2-15(11-4-3-5-13(17)10-11)20(18,19)14-8-6-12(16)7-9-14/h3-10,15,17H,2H2,1H3
InChIKeyLQTNZOPQFGEDIX-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.97
Rot. Bonds4

About 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol

3-[1-(4-chlorophenyl)sulfonylpropyl]phenol (PubChem CID 123247105) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpropyl]phenol
PubChem CID123247105
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpropyl]phenol
SMILESCCC(c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3S/c1-2-15(11-4-3-5-13(17)10-11)20(18,19)14-8-6-12(16)7-9-14/h3-10,15,17H,2H2,1H3
InChIKeyLQTNZOPQFGEDIX-UHFFFAOYSA-N
XLogP3.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-chlorophenyl)sulfonylpropyl]phenol;1-[1-(4-chlorophenyl)sulfonylpropyl]-3-phenylmethoxybenzene
CID 158595034
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 9167712
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066
1-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]-3-methoxybenzene
CID 59750762
1-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 62085809
1-chloro-4-(5-methylsulfonyl-1-phenylpentyl)sulfonylbenzene
CID 23028576
ethane;3-[1-(methylamino)propyl]phenol
CID 143762212

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol (CID 123247105) is 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol is CCC(c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol?
The InChIKey is LQTNZOPQFGEDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-2-15(11-4-3-5-13(17)10-11)20(18,19)14-8-6-12(16)7-9-14/h3-10,15,17H,2H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol?
3-[1-(4-chlorophenyl)sulfonylpropyl]phenol has a molecular weight of 310.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpropyl]phenol is sourced from PubChem (CID 123247105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).