2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C17H13ClFNO3S2 — CID 20984128

IUPAC2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccccc2OCc2ccc(F)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C17H13ClFNO3S2/c1-11-17(25(18,21)22)24-16(20-11)14-4-2-3-5-15(14)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyHPTJZRIMTNKPTD-UHFFFAOYSA-N
MW397.88 g/mol
LogP4.76
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 20984128) has the molecular formula C17H13ClFNO3S2 and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID20984128
Molecular FormulaC17H13ClFNO3S2
Molecular Weight397.88 g/mol
Exact Mass397.00
IUPAC Name2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccccc2OCc2ccc(F)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C17H13ClFNO3S2/c1-11-17(25(18,21)22)24-16(20-11)14-4-2-3-5-15(14)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyHPTJZRIMTNKPTD-UHFFFAOYSA-N
XLogP4.76
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 20984128) is 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(-c2ccccc2OCc2ccc(F)cc2)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is HPTJZRIMTNKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S2/c1-11-17(25(18,21)22)24-16(20-11)14-4-2-3-5-15(14)23-10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 397.88 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 20984128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).