N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide

C15H15N3O2S — CID 43551091

IUPACN-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-2-12-5-6-13(9-15(12)17)18-21(19,20)14-7-3-11(10-16)4-8-14/h3-9,18H,2,17H2,1H3
InChIKeyGSBCHKFSWSTLIZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.50
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide

N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide (PubChem CID 43551091) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
PubChem CID43551091
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-2-12-5-6-13(9-15(12)17)18-21(19,20)14-7-3-11(10-16)4-8-14/h3-9,18H,2,17H2,1H3
InChIKeyGSBCHKFSWSTLIZ-UHFFFAOYSA-N
XLogP2.50
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 39342828
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
CID 38943951
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide (CID 43551091) is N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is GSBCHKFSWSTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-12-5-6-13(9-15(12)17)18-21(19,20)14-7-3-11(10-16)4-8-14/h3-9,18H,2,17H2,1H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide?
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 43551091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).