4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide

C14H18N4O2S — CID 61139569

IUPAC4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C14H18N4O2S/c1-11(2)10-18(7-3-6-15)21(19,20)14-5-4-13(17)8-12(14)9-16/h4-5,8,11H,3,7,10,17H2,1-2H3
InChIKeyGDMGUNNXHWZMSL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.70
Rot. Bonds6

About 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide

4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61139569) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61139569
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C14H18N4O2S/c1-11(2)10-18(7-3-6-15)21(19,20)14-5-4-13(17)8-12(14)9-16/h4-5,8,11H,3,7,10,17H2,1-2H3
InChIKeyGDMGUNNXHWZMSL-UHFFFAOYSA-N
XLogP1.70
TPSA110.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140706
3-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140705
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343
4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213
2,4-dichloro-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103088037
2,5-dibromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61218146
3-amino-N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322527
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
2-amino-5-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491549
3-amino-5-chloro-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103050911
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 61139569) is 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCC#N)S(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is GDMGUNNXHWZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11(2)10-18(7-3-6-15)21(19,20)14-5-4-13(17)8-12(14)9-16/h4-5,8,11H,3,7,10,17H2,1-2H3.
What are the key properties of 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide?
4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).