4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C16H19FN2O2S — CID 28715737

IUPAC4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-18-11-13-7-9-15(10-8-13)22(20,21)19-12-14-5-3-4-6-16(14)17/h3-10,18-19H,2,11-12H2,1H3
InChIKeyPOGAYUPULFEOBW-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.41
Rot. Bonds7

About 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 28715737) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID28715737
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-18-11-13-7-9-15(10-8-13)22(20,21)19-12-14-5-3-4-6-16(14)17/h3-10,18-19H,2,11-12H2,1H3
InChIKeyPOGAYUPULFEOBW-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 ≤ 500322.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
1-[4-[(2-fluorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea
CID 175587592
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3792229
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 28715737) is 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is POGAYUPULFEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-2-18-11-13-7-9-15(10-8-13)22(20,21)19-12-14-5-3-4-6-16(14)17/h3-10,18-19H,2,11-12H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 322.40 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-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 28715737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).