1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C11H15N3O2S — CID 54947831

IUPAC1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C11H15N3O2S/c1-9(2)14(3)17(15,16)13-11-6-4-5-10(7-11)8-12/h4-7,9,13H,1-3H3
InChIKeyUTCCPXMMMCYUIC-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.56
Rot. Bonds4

About 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54947831) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54947831
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C11H15N3O2S/c1-9(2)14(3)17(15,16)13-11-6-4-5-10(7-11)8-12/h4-7,9,13H,1-3H3
InChIKeyUTCCPXMMMCYUIC-UHFFFAOYSA-N
XLogP1.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
1-ethynyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947305
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
3-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 102816217
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
N-(3-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695849
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54947831) is 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CC(C)N(C)S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is UTCCPXMMMCYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-9(2)14(3)17(15,16)13-11-6-4-5-10(7-11)8-12/h4-7,9,13H,1-3H3.
What are the key properties of 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 253.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 54947831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).