2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene

C11H14FN3O2S — CID 82015510

IUPAC2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
SMILESCCN(CC)S(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H14FN3O2S/c1-3-15(4-2)18(16,17)14-11-6-5-10(12)7-9(11)8-13/h5-7,14H,3-4H2,1-2H3
InChIKeyPOIODPFIRCOOPX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds5

About 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene

2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene (PubChem CID 82015510) has the molecular formula C11H14FN3O2S and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene.

Molecular Properties

Compound Name2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
PubChem CID82015510
Molecular FormulaC11H14FN3O2S
Molecular Weight271.32 g/mol
Exact Mass271.08
IUPAC Name2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
SMILESCCN(CC)S(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H14FN3O2S/c1-3-15(4-2)18(16,17)14-11-6-5-10(12)7-9(11)8-13/h5-7,14H,3-4H2,1-2H3
InChIKeyPOIODPFIRCOOPX-UHFFFAOYSA-N
XLogP1.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide
CID 82015245
N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
CID 82016327
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-[2-(2-cyano-4-fluoroanilino)ethyl]methanesulfonamide
CID 63674799
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene?
The IUPAC name of 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene (CID 82015510) is 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene.
What is the SMILES notation for 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene?
The canonical SMILES for 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene is CCN(CC)S(=O)(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene?
The InChIKey is POIODPFIRCOOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2S/c1-3-15(4-2)18(16,17)14-11-6-5-10(12)7-9(11)8-13/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene?
2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene has a molecular weight of 271.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene is sourced from PubChem (CID 82015510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).