2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene

C19H14ClFO3S — CID 67238998

IUPAC2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(21)11-17(19)16-9-8-15(12-18(16)20)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeySCFCAZYHNFVUQK-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.99
Rot. Bonds4

About 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene

2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene (PubChem CID 67238998) has the molecular formula C19H14ClFO3S and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene
PubChem CID67238998
Molecular FormulaC19H14ClFO3S
Molecular Weight376.84 g/mol
Exact Mass376.03
IUPAC Name2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(21)11-17(19)16-9-8-15(12-18(16)20)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeySCFCAZYHNFVUQK-UHFFFAOYSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene (CID 67238998) is 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene?
The InChIKey is SCFCAZYHNFVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(21)11-17(19)16-9-8-15(12-18(16)20)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene?
2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene has a molecular weight of 376.84 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-2-chlorophenyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 67238998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).