4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide

C15H17FN2O2S — CID 28715922

IUPAC4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-8-15(9-7-12)21(19,20)18-14-5-3-4-13(16)10-14/h3-10,17-18H,2,11H2,1H3
InChIKeyISDPRHZQVOSJDZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide

4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 28715922) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID28715922
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-8-15(9-7-12)21(19,20)18-14-5-3-4-13(16)10-14/h3-10,17-18H,2,11H2,1H3
InChIKeyISDPRHZQVOSJDZ-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
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
S-[2-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11689172
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide (CID 28715922) is 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is ISDPRHZQVOSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-17-11-12-6-8-15(9-7-12)21(19,20)18-14-5-3-4-13(16)10-14/h3-10,17-18H,2,11H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide 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 4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 28715922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).