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

C11H9ClF2N2O2S2 — CID 62229620

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H9ClF2N2O2S2/c1-6-10(19-11(12)16-6)20(17,18)15-5-7-2-3-8(13)4-9(7)14/h2-4,15H,5H2,1H3
InChIKeyYYZKBEAOEGIPAM-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.86
Rot. Bonds4

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

2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 62229620) has the molecular formula C11H9ClF2N2O2S2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID62229620
Molecular FormulaC11H9ClF2N2O2S2
Molecular Weight338.79 g/mol
Exact Mass337.98
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H9ClF2N2O2S2/c1-6-10(19-11(12)16-6)20(17,18)15-5-7-2-3-8(13)4-9(7)14/h2-4,15H,5H2,1H3
InChIKeyYYZKBEAOEGIPAM-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721069
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 62229620) is 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YYZKBEAOEGIPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2S2/c1-6-10(19-11(12)16-6)20(17,18)15-5-7-2-3-8(13)4-9(7)14/h2-4,15H,5H2,1H3.
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 338.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62229620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).