N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide

C13H19N3O2S — CID 115310566

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H19N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)8-14/h4-7,10,16H,9,15H2,1-3H3
InChIKeyHFUBMYXUWLVKJT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.21
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide (PubChem CID 115310566) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
PubChem CID115310566
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H19N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)8-14/h4-7,10,16H,9,15H2,1-3H3
InChIKeyHFUBMYXUWLVKJT-UHFFFAOYSA-N
XLogP1.21
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide
CID 106999005
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993179
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
CID 115310737
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide (CID 115310566) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide?
The InChIKey is HFUBMYXUWLVKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)8-14/h4-7,10,16H,9,15H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 115310566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).