2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride

C12H10ClF2NO3S2 — CID 82912184

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESCc1nc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)sc1C
InChIInChI=1S/C12H10ClF2NO3S2/c1-6-7(2)20-11(16-6)5-19-12-9(15)3-8(14)4-10(12)21(13,17)18/h3-4H,5H2,1-2H3
InChIKeyBEUTVPKXUCWGMI-UHFFFAOYSA-N
MW353.80 g/mol
LogP3.54
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride (PubChem CID 82912184) has the molecular formula C12H10ClF2NO3S2 and a molecular weight of 353.80 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
PubChem CID82912184
Molecular FormulaC12H10ClF2NO3S2
Molecular Weight353.80 g/mol
Exact Mass352.98
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESCc1nc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)sc1C
InChIInChI=1S/C12H10ClF2NO3S2/c1-6-7(2)20-11(16-6)5-19-12-9(15)3-8(14)4-10(12)21(13,17)18/h3-4H,5H2,1-2H3
InChIKeyBEUTVPKXUCWGMI-UHFFFAOYSA-N
XLogP3.54
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride (CID 82912184) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride is Cc1nc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is BEUTVPKXUCWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO3S2/c1-6-7(2)20-11(16-6)5-19-12-9(15)3-8(14)4-10(12)21(13,17)18/h3-4H,5H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 353.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 82912184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).