4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C13H14F2N2O3S2 — CID 75454671

IUPAC4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C13H14F2N2O3S2/c1-9-12(21-8-16-9)6-17-22(18,19)11-4-2-10(3-5-11)20-7-13(14)15/h2-5,8,13,17H,6-7H2,1H3
InChIKeyFELRYLUDAQHPLG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.57
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 75454671) has the molecular formula C13H14F2N2O3S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID75454671
Molecular FormulaC13H14F2N2O3S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C13H14F2N2O3S2/c1-9-12(21-8-16-9)6-17-22(18,19)11-4-2-10(3-5-11)20-7-13(14)15/h2-5,8,13,17H,6-7H2,1H3
InChIKeyFELRYLUDAQHPLG-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 75454671) is 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncsc1CNS(=O)(=O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is FELRYLUDAQHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S2/c1-9-12(21-8-16-9)6-17-22(18,19)11-4-2-10(3-5-11)20-7-13(14)15/h2-5,8,13,17H,6-7H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75454671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).