2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

C11H18FN3O4S2 — CID 106335923

IUPAC2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C11H18FN3O4S2/c1-15(2)20(16,17)7-6-14-21(18,19)11-5-3-4-10(12)9(11)8-13/h3-5,14H,6-8,13H2,1-2H3
InChIKeyGDODEJWKAOUXNW-UHFFFAOYSA-N
MW339.41 g/mol
LogP-0.55
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 106335923) has the molecular formula C11H18FN3O4S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID106335923
Molecular FormulaC11H18FN3O4S2
Molecular Weight339.41 g/mol
Exact Mass339.07
IUPAC Name2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C11H18FN3O4S2/c1-15(2)20(16,17)7-6-14-21(18,19)11-5-3-4-10(12)9(11)8-13/h3-5,14H,6-8,13H2,1-2H3
InChIKeyGDODEJWKAOUXNW-UHFFFAOYSA-N
XLogP-0.55
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
CID 115406488
2-(aminomethyl)-3-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016295
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
2-(aminomethyl)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357983
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide
CID 114107705
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (CID 106335923) is 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is GDODEJWKAOUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O4S2/c1-15(2)20(16,17)7-6-14-21(18,19)11-5-3-4-10(12)9(11)8-13/h3-5,14H,6-8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106335923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).