N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide

C11H17FN2O2S — CID 43606529

IUPACN-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-2-13-8-3-9-14-17(15,16)11-6-4-10(12)5-7-11/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyJNQMYZWOGNHPSZ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.10
Rot. Bonds7

About N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide

N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 43606529) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID43606529
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-2-13-8-3-9-14-17(15,16)11-6-4-10(12)5-7-11/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyJNQMYZWOGNHPSZ-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
CID 20787030
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115631989

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide (CID 43606529) is N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide is CCNCCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is JNQMYZWOGNHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-2-13-8-3-9-14-17(15,16)11-6-4-10(12)5-7-11/h4-7,13-14H,2-3,8-9H2,1H3.
What are the key properties of N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43606529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).