N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide

C12H16FNO2S — CID 115638756

IUPACN-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCC1CC1)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c13-11-5-1-2-6-12(11)17(15,16)14-9-3-4-10-7-8-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyJTPJOTBOWVVSLA-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.29
Rot. Bonds6

About N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide

N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide (PubChem CID 115638756) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
PubChem CID115638756
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCC1CC1)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c13-11-5-1-2-6-12(11)17(15,16)14-9-3-4-10-7-8-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyJTPJOTBOWVVSLA-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
CID 2093654
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-(2-cyclopropylethyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112695020
[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
CID 87901132
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
CID 60539994
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide (CID 115638756) is N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCCCC1CC1)c1ccccc1F.
What is the InChIKey of N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The InChIKey is JTPJOTBOWVVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-11-5-1-2-6-12(11)17(15,16)14-9-3-4-10-7-8-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 115638756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).