4-fluoro-N-(3-methylsulfonylpropyl)benzamide

C11H14FNO3S — CID 60859209

IUPAC4-fluoro-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyBPJGGZARFVXTLX-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.99
Rot. Bonds5

About 4-fluoro-N-(3-methylsulfonylpropyl)benzamide

4-fluoro-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 60859209) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methylsulfonylpropyl)benzamide
PubChem CID60859209
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-fluoro-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyBPJGGZARFVXTLX-UHFFFAOYSA-N
XLogP0.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.99
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

4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
4-(3-methylsulfonylpropylcarbamoyl)phthalic acid
CID 20769742
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-methylsulfonylpropyl)benzamide (CID 60859209) is 4-fluoro-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methylsulfonylpropyl)benzamide is CS(=O)(=O)CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is BPJGGZARFVXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 4-fluoro-N-(3-methylsulfonylpropyl)benzamide?
4-fluoro-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 259.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 60859209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).