N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide

C15H17FN2O2S — CID 43606250

IUPACN-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-5-7-13(10-12)18-21(19,20)15-9-4-3-8-14(15)16/h3-10,17-18H,2,11H2,1H3
InChIKeyBEHATZKJDUTYPY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide

N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 43606250) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID43606250
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-5-7-13(10-12)18-21(19,20)15-9-4-3-8-14(15)16/h3-10,17-18H,2,11H2,1H3
InChIKeyBEHATZKJDUTYPY-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide (CID 43606250) is N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide is CCNCc1cccc(NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is BEHATZKJDUTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-5-7-13(10-12)18-21(19,20)15-9-4-3-8-14(15)16/h3-10,17-18H,2,11H2,1H3.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide?
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43606250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).