5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide

C12H14FN3O3S — CID 103916474

IUPAC5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C12H14FN3O3S/c13-10-4-3-5-11(9(10)8-14)20(18,19)16-7-2-1-6-12(15)17/h3-5,16H,1-2,6-7H2,(H2,15,17)
InChIKeyYRHHUVQFUVGLRT-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.63
Rot. Bonds7

About 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide

5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide (PubChem CID 103916474) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
PubChem CID103916474
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C12H14FN3O3S/c13-10-4-3-5-11(9(10)8-14)20(18,19)16-7-2-1-6-12(15)17/h3-5,16H,1-2,6-7H2,(H2,15,17)
InChIKeyYRHHUVQFUVGLRT-UHFFFAOYSA-N
XLogP0.63
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
4-[(2-cyano-3-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540372
2-cyano-3-fluoro-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 103833423
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
N-(4-aminobutyl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120583368
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
CID 106240784
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
(2S)-2-[(2-cyano-3-fluorophenyl)sulfonylamino]hexanoic acid
CID 104934664

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide (CID 103916474) is 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide is N#Cc1c(F)cccc1S(=O)(=O)NCCCCC(N)=O.
What is the InChIKey of 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide?
The InChIKey is YRHHUVQFUVGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c13-10-4-3-5-11(9(10)8-14)20(18,19)16-7-2-1-6-12(15)17/h3-5,16H,1-2,6-7H2,(H2,15,17).
What are the key properties of 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide?
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide has a molecular weight of 299.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 103916474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).