3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide

C15H23FN2O2S — CID 114551938

IUPAC3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCC(C)C2)ccc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-17-10-12-9-14(6-7-15(12)16)21(19,20)18-13-5-4-11(2)8-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyNKIHFSILBAEZRU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds6

About 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide

3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551938) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551938
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCC(C)C2)ccc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-17-10-12-9-14(6-7-15(12)16)21(19,20)18-13-5-4-11(2)8-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyNKIHFSILBAEZRU-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551938) is 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide is CCNCc1cc(S(=O)(=O)NC2CCC(C)C2)ccc1F.
What is the InChIKey of 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is NKIHFSILBAEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-17-10-12-9-14(6-7-15(12)16)21(19,20)18-13-5-4-11(2)8-13/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).