4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol

C19H14ClFO3S — CID 67240913

IUPAC4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol
SMILESCc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1-c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFO3S/c1-12-10-16(25(23,24)15-5-3-14(21)4-6-15)7-8-17(12)18-11-13(20)2-9-19(18)22/h2-11,22H,1H3
InChIKeyWSGCRQCVVDCESS-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.99
Rot. Bonds3

About 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol

4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol (PubChem CID 67240913) has the molecular formula C19H14ClFO3S and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol
PubChem CID67240913
Molecular FormulaC19H14ClFO3S
Molecular Weight376.84 g/mol
Exact Mass376.03
IUPAC Name4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol
SMILESCc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1-c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFO3S/c1-12-10-16(25(23,24)15-5-3-14(21)4-6-15)7-8-17(12)18-11-13(20)2-9-19(18)22/h2-11,22H,1H3
InChIKeyWSGCRQCVVDCESS-UHFFFAOYSA-N
XLogP4.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol?
The IUPAC name of 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol (CID 67240913) is 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol.
What is the SMILES notation for 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol?
The canonical SMILES for 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol is Cc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1-c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol?
The InChIKey is WSGCRQCVVDCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO3S/c1-12-10-16(25(23,24)15-5-3-14(21)4-6-15)7-8-17(12)18-11-13(20)2-9-19(18)22/h2-11,22H,1H3.
What are the key properties of 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol?
4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol has a molecular weight of 376.84 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol is sourced from PubChem (CID 67240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).