N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide

C15H17FN2O2S — CID 62502665

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
SMILESNCCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H17FN2O2S/c16-14-3-1-2-4-15(14)21(19,20)18-11-13-7-5-12(6-8-13)9-10-17/h1-8,18H,9-11,17H2
InChIKeyIQAQOALCHYEALH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.81
Rot. Bonds6

About N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide (PubChem CID 62502665) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
PubChem CID62502665
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
SMILESNCCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H17FN2O2S/c16-14-3-1-2-4-15(14)21(19,20)18-11-13-7-5-12(6-8-13)9-10-17/h1-8,18H,9-11,17H2
InChIKeyIQAQOALCHYEALH-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide (CID 62502665) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide is NCCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide?
The InChIKey is IQAQOALCHYEALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-14-3-1-2-4-15(14)21(19,20)18-11-13-7-5-12(6-8-13)9-10-17/h1-8,18H,9-11,17H2.
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 62502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).