N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide

C11H15N3O2S — CID 55161784

IUPACN-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H15N3O2S/c1-11(2,8-13)14-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,14H,8,13H2,1-2H3
InChIKeyQPYNIVIZOZDWFE-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.57
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide (PubChem CID 55161784) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
PubChem CID55161784
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H15N3O2S/c1-11(2,8-13)14-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,14H,8,13H2,1-2H3
InChIKeyQPYNIVIZOZDWFE-UHFFFAOYSA-N
XLogP0.57
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
CID 119975364
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 63194324
N-(5-amino-2-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 165494017
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide (CID 55161784) is N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide is CC(C)(CN)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide?
The InChIKey is QPYNIVIZOZDWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,8-13)14-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,14H,8,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 55161784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).