N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide

C13H19N3O2S — CID 99627369

IUPACN-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-3-13(15,4-2)10-16-19(17,18)12-7-5-6-11(8-12)9-14/h5-8,16H,3-4,10,15H2,1-2H3
InChIKeyJQYSYAHSSVSRRA-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.35
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide

N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide (PubChem CID 99627369) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
PubChem CID99627369
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-3-13(15,4-2)10-16-19(17,18)12-7-5-6-11(8-12)9-14/h5-8,16H,3-4,10,15H2,1-2H3
InChIKeyJQYSYAHSSVSRRA-UHFFFAOYSA-N
XLogP1.35
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(3-cyanopentan-3-yl)benzenesulfonamide
CID 61122321
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62522313
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide (CID 99627369) is N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide?
The InChIKey is JQYSYAHSSVSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-13(15,4-2)10-16-19(17,18)12-7-5-6-11(8-12)9-14/h5-8,16H,3-4,10,15H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide?
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 99627369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).