N-(3-cyanopropyl)-4-fluorobenzenesulfonamide

C10H11FN2O2S — CID 62668481

IUPACN-(3-cyanopropyl)-4-fluorobenzenesulfonamide
SMILESN#CCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-9-3-5-10(6-4-9)16(14,15)13-8-2-1-7-12/h3-6,13H,1-2,8H2
InChIKeyCCKJLEHIYIOWOQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.41
Rot. Bonds5

About N-(3-cyanopropyl)-4-fluorobenzenesulfonamide

N-(3-cyanopropyl)-4-fluorobenzenesulfonamide (PubChem CID 62668481) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3-cyanopropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-4-fluorobenzenesulfonamide
PubChem CID62668481
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC NameN-(3-cyanopropyl)-4-fluorobenzenesulfonamide
SMILESN#CCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-9-3-5-10(6-4-9)16(14,15)13-8-2-1-7-12/h3-6,13H,1-2,8H2
InChIKeyCCKJLEHIYIOWOQ-UHFFFAOYSA-N
XLogP1.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.41
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-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
3-bromo-N-(3-cyanopropyl)benzenesulfonamide
CID 62665683
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
CID 135074818
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
CID 60640045

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-cyanopropyl)-4-fluorobenzenesulfonamide (CID 62668481) is N-(3-cyanopropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyanopropyl)-4-fluorobenzenesulfonamide is N#CCCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyanopropyl)-4-fluorobenzenesulfonamide?
The InChIKey is CCKJLEHIYIOWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c11-9-3-5-10(6-4-9)16(14,15)13-8-2-1-7-12/h3-6,13H,1-2,8H2.
What are the key properties of N-(3-cyanopropyl)-4-fluorobenzenesulfonamide?
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide has a molecular weight of 242.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 62668481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).