N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide

C13H16FN3O2S2 — CID 106054763

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)c(F)c1
InChIInChI=1S/C13H16FN3O2S2/c1-8-9(2)20-13(16-8)17-21(18,19)12-5-4-10(7-15-3)6-11(12)14/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyBOOUBQUFUVCAIO-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.42
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106054763) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106054763
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)c(F)c1
InChIInChI=1S/C13H16FN3O2S2/c1-8-9(2)20-13(16-8)17-21(18,19)12-5-4-10(7-15-3)6-11(12)14/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyBOOUBQUFUVCAIO-UHFFFAOYSA-N
XLogP2.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide (CID 106054763) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)c(F)c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is BOOUBQUFUVCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-8-9(2)20-13(16-8)17-21(18,19)12-5-4-10(7-15-3)6-11(12)14/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106054763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).