3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride

C12H11ClFNO3S2 — CID 82916083

IUPAC3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1ncsc1CCOc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C12H11ClFNO3S2/c1-8-12(19-7-15-8)4-5-18-11-3-2-9(6-10(11)14)20(13,16)17/h2-3,6-7H,4-5H2,1H3
InChIKeyWEPNHLIXROOMNQ-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.14
Rot. Bonds5

About 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride

3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 82916083) has the molecular formula C12H11ClFNO3S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
PubChem CID82916083
Molecular FormulaC12H11ClFNO3S2
Molecular Weight335.81 g/mol
Exact Mass334.99
IUPAC Name3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1ncsc1CCOc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C12H11ClFNO3S2/c1-8-12(19-7-15-8)4-5-18-11-3-2-9(6-10(11)14)20(13,16)17/h2-3,6-7H,4-5H2,1H3
InChIKeyWEPNHLIXROOMNQ-UHFFFAOYSA-N
XLogP3.14
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide
CID 67370252
4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
CID 82917384
N-[[5-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62070964
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 81282980
3,4-difluoro-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455042
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 55181570

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride (CID 82916083) is 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride is Cc1ncsc1CCOc1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is WEPNHLIXROOMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3S2/c1-8-12(19-7-15-8)4-5-18-11-3-2-9(6-10(11)14)20(13,16)17/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride?
3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82916083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).