2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

C11H10ClFN2O2S2 — CID 43456096

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-7-10(18-11(12)15-7)19(16,17)14-6-8-4-2-3-5-9(8)13/h2-5,14H,6H2,1H3
InChIKeyYUVSJEZBDVEVGV-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456096) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456096
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-7-10(18-11(12)15-7)19(16,17)14-6-8-4-2-3-5-9(8)13/h2-5,14H,6H2,1H3
InChIKeyYUVSJEZBDVEVGV-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456096) is 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCc1ccccc1F.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YUVSJEZBDVEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-7-10(18-11(12)15-7)19(16,17)14-6-8-4-2-3-5-9(8)13/h2-5,14H,6H2,1H3.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).