4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide

C15H15N3O2S — CID 61125319

IUPAC4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(13-4-2-12(10-16)3-5-13)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,17H2,1H3
InChIKeyFNZNIQSRZBWXCL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide

4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide (PubChem CID 61125319) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
PubChem CID61125319
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(13-4-2-12(10-16)3-5-13)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,17H2,1H3
InChIKeyFNZNIQSRZBWXCL-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 26540985
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
3-bromo-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 55681636
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188
4-cyano-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200672
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 116650244
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide (CID 61125319) is 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide?
The InChIKey is FNZNIQSRZBWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(13-4-2-12(10-16)3-5-13)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,17H2,1H3.
What are the key properties of 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide?
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).