4-[4-(4-chlorophenyl)sulfonylphenyl]phenol

C18H13ClO3S — CID 10450227

IUPAC4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13ClO3S/c19-15-5-11-18(12-6-15)23(21,22)17-9-3-14(4-10-17)13-1-7-16(20)8-2-13/h1-12,20H
InChIKeyMSMJUFPVLFLUKC-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.55
Rot. Bonds3

About 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol

4-[4-(4-chlorophenyl)sulfonylphenyl]phenol (PubChem CID 10450227) has the molecular formula C18H13ClO3S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
PubChem CID10450227
Molecular FormulaC18H13ClO3S
Molecular Weight344.82 g/mol
Exact Mass344.03
IUPAC Name4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13ClO3S/c19-15-5-11-18(12-6-15)23(21,22)17-9-3-14(4-10-17)13-1-7-16(20)8-2-13/h1-12,20H
InChIKeyMSMJUFPVLFLUKC-UHFFFAOYSA-N
XLogP4.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 70636806
CID 70636806
CID 170847652
CID 170847652
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097
4-chlorophenol
CID 4684
4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 176913788
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
potassium 4-(4-chlorophenyl)sulfonylphenolate
CID 23704030
bis(4-chlorophenol);chromium
CID 152534645
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol (CID 10450227) is 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol is O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol?
The InChIKey is MSMJUFPVLFLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3S/c19-15-5-11-18(12-6-15)23(21,22)17-9-3-14(4-10-17)13-1-7-16(20)8-2-13/h1-12,20H.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol?
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol has a molecular weight of 344.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylphenyl]phenol is sourced from PubChem (CID 10450227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).