N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide

C15H17FN2O2S — CID 43275766

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
SMILESCCN(c1ccc(CN)cc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-18(14-8-6-12(11-17)7-9-14)21(19,20)15-5-3-4-13(16)10-15/h3-10H,2,11,17H2,1H3
InChIKeyYOHRRKVDZSFGIO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.50
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide

N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide (PubChem CID 43275766) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
PubChem CID43275766
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
SMILESCCN(c1ccc(CN)cc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-18(14-8-6-12(11-17)7-9-14)21(19,20)15-5-3-4-13(16)10-15/h3-10H,2,11,17H2,1H3
InChIKeyYOHRRKVDZSFGIO-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
CID 103298460
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 96566606
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579521
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide (CID 43275766) is N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide is CCN(c1ccc(CN)cc1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide?
The InChIKey is YOHRRKVDZSFGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-18(14-8-6-12(11-17)7-9-14)21(19,20)15-5-3-4-13(16)10-15/h3-10H,2,11,17H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43275766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).