4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

C14H19N3O2S — CID 43587527

IUPAC4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C14H19N3O2S/c1-2-7-17(10-11-3-4-11)20(18,19)14-6-5-13(16)8-12(14)9-15/h5-6,8,11H,2-4,7,10,16H2,1H3
InChIKeyBHTBNEFEJMEOPO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.95
Rot. Bonds6

About 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (PubChem CID 43587527) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
PubChem CID43587527
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C14H19N3O2S/c1-2-7-17(10-11-3-4-11)20(18,19)14-6-5-13(16)8-12(14)9-15/h5-6,8,11H,2-4,7,10,16H2,1H3
InChIKeyBHTBNEFEJMEOPO-UHFFFAOYSA-N
XLogP1.95
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62158913
2-[(4-amino-2-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 61126807
5-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62159096
4-amino-2-[cyclopropylmethyl(propyl)sulfamoyl]benzoic acid
CID 102930997
4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61139569
4-amino-N-butan-2-yl-N-butyl-2-cyanobenzenesulfonamide
CID 61111292
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656535

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (CID 43587527) is 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is BHTBNEFEJMEOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-7-17(10-11-3-4-11)20(18,19)14-6-5-13(16)8-12(14)9-15/h5-6,8,11H,2-4,7,10,16H2,1H3.
What are the key properties of 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 43587527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).