4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide

C15H23FN2O3S — CID 113068306

IUPAC4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-17-15(19)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCBFMXAZUHXOJOS-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.01
Rot. Bonds9

About 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide

4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide (PubChem CID 113068306) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
PubChem CID113068306
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-17-15(19)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCBFMXAZUHXOJOS-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
N-[2-(dipropylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618277
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide (CID 113068306) is 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide is CCCCCN(CCNC(=O)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The InChIKey is CBFMXAZUHXOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-17-15(19)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide has a molecular weight of 330.42 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide is sourced from PubChem (CID 113068306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).