4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

C13H16FN3O2S2 — CID 79180058

IUPAC4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(CN)cc1F)c1nccs1
InChIInChI=1S/C13H16FN3O2S2/c1-2-11(13-16-5-6-20-13)17-21(18,19)12-4-3-9(8-15)7-10(12)14/h3-7,11,17H,2,8,15H2,1H3
InChIKeyZTIMZNLYBCOVJJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.17
Rot. Bonds6

About 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 79180058) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID79180058
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(CN)cc1F)c1nccs1
InChIInChI=1S/C13H16FN3O2S2/c1-2-11(13-16-5-6-20-13)17-21(18,19)12-4-3-9(8-15)7-10(12)14/h3-7,11,17H,2,8,15H2,1H3
InChIKeyZTIMZNLYBCOVJJ-UHFFFAOYSA-N
XLogP2.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
CID 103287107
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81144527

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 79180058) is 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(CN)cc1F)c1nccs1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is ZTIMZNLYBCOVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-2-11(13-16-5-6-20-13)17-21(18,19)12-4-3-9(8-15)7-10(12)14/h3-7,11,17H,2,8,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 79180058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).