2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C13H15FN2O2S2 — CID 102920365

IUPAC2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C13H15FN2O2S2/c1-16(8-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)7-15/h2-6,9H,7-8,15H2,1H3
InChIKeyRYJMNGKNRRMEDF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.17
Rot. Bonds5

About 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 102920365) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID102920365
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C13H15FN2O2S2/c1-16(8-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)7-15/h2-6,9H,7-8,15H2,1H3
InChIKeyRYJMNGKNRRMEDF-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712
4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43396637
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919792
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
2-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102920582
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 102920365) is 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is RYJMNGKNRRMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-16(8-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)7-15/h2-6,9H,7-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102920365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).