4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C16H19FN2O2S — CID 28715741

IUPAC4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-18-11-13-5-9-16(10-6-13)22(20,21)19-12-14-3-7-15(17)8-4-14/h3-10,18-19H,2,11-12H2,1H3
InChIKeyURVHNCWTXVAPLP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.41
Rot. Bonds7

About 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 28715741) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID28715741
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-18-11-13-5-9-16(10-6-13)22(20,21)19-12-14-3-7-15(17)8-4-14/h3-10,18-19H,2,11-12H2,1H3
InChIKeyURVHNCWTXVAPLP-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 28715741) is 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is URVHNCWTXVAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-2-18-11-13-5-9-16(10-6-13)22(20,21)19-12-14-3-7-15(17)8-4-14/h3-10,18-19H,2,11-12H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 28715741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).