2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H16FN3O2S2 — CID 106031681

IUPAC2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCCNCc1ccc(F)c(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C13H16FN3O2S2/c1-2-5-15-9-10-3-4-11(14)12(8-10)21(18,19)17-13-16-6-7-20-13/h3-4,6-8,15H,2,5,9H2,1H3,(H,16,17)
InChIKeyLPYBXGHIYDMXJJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.58
Rot. Bonds7

About 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106031681) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106031681
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCCNCc1ccc(F)c(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C13H16FN3O2S2/c1-2-5-15-9-10-3-4-11(14)12(8-10)21(18,19)17-13-16-6-7-20-13/h3-4,6-8,15H,2,5,9H2,1H3,(H,16,17)
InChIKeyLPYBXGHIYDMXJJ-UHFFFAOYSA-N
XLogP2.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031635
1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 106031650
5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 123341644
N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 79824734
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 106031681) is 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCCNCc1ccc(F)c(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LPYBXGHIYDMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-2-5-15-9-10-3-4-11(14)12(8-10)21(18,19)17-13-16-6-7-20-13/h3-4,6-8,15H,2,5,9H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).