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

C13H16FN3O2S2 — CID 79179862

IUPAC4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2ccc(CN)cc2F)n1
InChIInChI=1S/C13H16FN3O2S2/c1-9-8-20-13(17-9)4-5-16-21(18,19)12-3-2-10(7-15)6-11(12)14/h2-3,6,8,16H,4-5,7,15H2,1H3
InChIKeyJTLRZUDNMMEGKK-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.57
Rot. Bonds6

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

4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 79179862) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID79179862
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2ccc(CN)cc2F)n1
InChIInChI=1S/C13H16FN3O2S2/c1-9-8-20-13(17-9)4-5-16-21(18,19)12-3-2-10(7-15)6-11(12)14/h2-3,6,8,16H,4-5,7,15H2,1H3
InChIKeyJTLRZUDNMMEGKK-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
2-amino-6-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62058190
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
2,5-dibromo-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81434950
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421
3-amino-2-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239008
4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 79179862) is 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1csc(CCNS(=O)(=O)c2ccc(CN)cc2F)n1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JTLRZUDNMMEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-9-8-20-13(17-9)4-5-16-21(18,19)12-3-2-10(7-15)6-11(12)14/h2-3,6,8,16H,4-5,7,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.57, 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-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 79179862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).