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

C11H10ClFN2O3S2 — CID 62531406

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O3S2/c1-6-10(19-11(16)15-6)20(17,18)14-5-7-2-3-9(13)8(12)4-7/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyPUONKGMMSALOTE-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.02
Rot. Bonds4

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

N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 62531406) has the molecular formula C11H10ClFN2O3S2 and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID62531406
Molecular FormulaC11H10ClFN2O3S2
Molecular Weight336.80 g/mol
Exact Mass335.98
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O3S2/c1-6-10(19-11(16)15-6)20(17,18)14-5-7-2-3-9(13)8(12)4-7/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyPUONKGMMSALOTE-UHFFFAOYSA-N
XLogP2.02
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138955
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138953
N-[(3-fluoro-4-methylphenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138968
N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 42939515
N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884371
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60715980
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716028
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716075
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716086
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723815
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723869
N-[1-(2-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723882

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 62531406) is N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is PUONKGMMSALOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S2/c1-6-10(19-11(16)15-6)20(17,18)14-5-7-2-3-9(13)8(12)4-7/h2-4,14H,5H2,1H3,(H,15,16).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62531406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).