2-(tert-butylsulfamoylamino)benzonitrile

C11H15N3O2S — CID 114807626

IUPAC2-(tert-butylsulfamoylamino)benzonitrile
SMILESCC(C)(C)NS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)14-17(15,16)13-10-7-5-4-6-9(10)8-12/h4-7,13-14H,1-3H3
InChIKeyBNHYXGJGCIOHMJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.60
Rot. Bonds3

About 2-(tert-butylsulfamoylamino)benzonitrile

2-(tert-butylsulfamoylamino)benzonitrile (PubChem CID 114807626) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)benzonitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)benzonitrile
PubChem CID114807626
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(tert-butylsulfamoylamino)benzonitrile
SMILESCC(C)(C)NS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)14-17(15,16)13-10-7-5-4-6-9(10)8-12/h4-7,13-14H,1-3H3
InChIKeyBNHYXGJGCIOHMJ-UHFFFAOYSA-N
XLogP1.60
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695848
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
CID 114807339
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-[2-(aminomethyl)phenyl]methanesulfonamide;N-(2-cyanophenyl)methanesulfonamide
CID 69220738
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)benzonitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)benzonitrile (CID 114807626) is 2-(tert-butylsulfamoylamino)benzonitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)benzonitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)benzonitrile is CC(C)(C)NS(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-(tert-butylsulfamoylamino)benzonitrile?
The InChIKey is BNHYXGJGCIOHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,3)14-17(15,16)13-10-7-5-4-6-9(10)8-12/h4-7,13-14H,1-3H3.
What are the key properties of 2-(tert-butylsulfamoylamino)benzonitrile?
2-(tert-butylsulfamoylamino)benzonitrile has a molecular weight of 253.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)benzonitrile is sourced from PubChem (CID 114807626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).