1-cyano-3-(dimethylsulfamoylamino)benzene

C9H11N3O2S — CID 28788421

IUPAC1-cyano-3-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)11-9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3
InChIKeyQUEIPWSJFCQPCS-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.78
Rot. Bonds3

About 1-cyano-3-(dimethylsulfamoylamino)benzene

1-cyano-3-(dimethylsulfamoylamino)benzene (PubChem CID 28788421) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-cyano-3-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-cyano-3-(dimethylsulfamoylamino)benzene
PubChem CID28788421
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-cyano-3-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)11-9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3
InChIKeyQUEIPWSJFCQPCS-UHFFFAOYSA-N
XLogP0.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
1-ethynyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947305
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-cyano-3-(dimethylsulfamoylamino)benzene (CID 28788421) is 1-cyano-3-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-cyano-3-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-cyano-3-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-cyano-3-(dimethylsulfamoylamino)benzene?
The InChIKey is QUEIPWSJFCQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-12(2)15(13,14)11-9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3.
What are the key properties of 1-cyano-3-(dimethylsulfamoylamino)benzene?
1-cyano-3-(dimethylsulfamoylamino)benzene has a molecular weight of 225.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 28788421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).