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

C10H14FNO4S2 — CID 47298915

IUPAC4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO4S2/c1-17(13,14)8-2-7-12-18(15,16)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyZTGWVVHMPGJUFY-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.54
Rot. Bonds6

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

4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 47298915) has the molecular formula C10H14FNO4S2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
PubChem CID47298915
Molecular FormulaC10H14FNO4S2
Molecular Weight295.36 g/mol
Exact Mass295.03
IUPAC Name4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO4S2/c1-17(13,14)8-2-7-12-18(15,16)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyZTGWVVHMPGJUFY-UHFFFAOYSA-N
XLogP0.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61126580
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
CID 20787030
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115631989
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide (CID 47298915) is 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is ZTGWVVHMPGJUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S2/c1-17(13,14)8-2-7-12-18(15,16)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide?
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 47298915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).