1-cyano-2-(diethylsulfamoylamino)benzene

C11H15N3O2S — CID 28785032

IUPAC1-cyano-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-3-14(4-2)17(15,16)13-11-8-6-5-7-10(11)9-12/h5-8,13H,3-4H2,1-2H3
InChIKeyFLKRQCILNGHWCH-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.56
Rot. Bonds5

About 1-cyano-2-(diethylsulfamoylamino)benzene

1-cyano-2-(diethylsulfamoylamino)benzene (PubChem CID 28785032) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-cyano-2-(diethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-cyano-2-(diethylsulfamoylamino)benzene
PubChem CID28785032
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-cyano-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-3-14(4-2)17(15,16)13-11-8-6-5-7-10(11)9-12/h5-8,13H,3-4H2,1-2H3
InChIKeyFLKRQCILNGHWCH-UHFFFAOYSA-N
XLogP1.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
CID 82015510
1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
2-(tert-butylsulfamoylamino)benzonitrile
CID 114807626
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-[2-(aminomethyl)phenyl]methanesulfonamide;N-(2-cyanophenyl)methanesulfonamide
CID 69220738
N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695848
N-(2-cyanophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62143298
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
3-[(2-cyanophenyl)sulfamoyl]-2-methylpropanoic acid
CID 82019591

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(diethylsulfamoylamino)benzene?
The IUPAC name of 1-cyano-2-(diethylsulfamoylamino)benzene (CID 28785032) is 1-cyano-2-(diethylsulfamoylamino)benzene.
What is the SMILES notation for 1-cyano-2-(diethylsulfamoylamino)benzene?
The canonical SMILES for 1-cyano-2-(diethylsulfamoylamino)benzene is CCN(CC)S(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-cyano-2-(diethylsulfamoylamino)benzene?
The InChIKey is FLKRQCILNGHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-14(4-2)17(15,16)13-11-8-6-5-7-10(11)9-12/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 1-cyano-2-(diethylsulfamoylamino)benzene?
1-cyano-2-(diethylsulfamoylamino)benzene has a molecular weight of 253.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(diethylsulfamoylamino)benzene is sourced from PubChem (CID 28785032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).