2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide

C12H17FN2O2S — CID 114107705

IUPAC2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C12H17FN2O2S/c1-2-8-6-11(8)15-18(16,17)12-5-3-4-10(13)9(12)7-14/h3-5,8,11,15H,2,6-7,14H2,1H3
InChIKeyDUNREQKQVXUGMC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds5

About 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide

2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide (PubChem CID 114107705) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide
PubChem CID114107705
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C12H17FN2O2S/c1-2-8-6-11(8)15-18(16,17)12-5-3-4-10(13)9(12)7-14/h3-5,8,11,15H,2,6-7,14H2,1H3
InChIKeyDUNREQKQVXUGMC-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357983
2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
CID 115406488
2-(aminomethyl)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047751
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
CID 107343626
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
CID 119986529
2-(aminomethyl)-3-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016295

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide (CID 114107705) is 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide is CCC1CC1NS(=O)(=O)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide?
The InChIKey is DUNREQKQVXUGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-8-6-11(8)15-18(16,17)12-5-3-4-10(13)9(12)7-14/h3-5,8,11,15H,2,6-7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 114107705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).