N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide

C14H14N4O2S — CID 114612845

IUPACN-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(N)cc1
InChIInChI=1S/C14H14N4O2S/c1-10(11-2-4-12(16)5-3-11)18-21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9-10,18H,16H2,1H3
InChIKeyMSELLUYREFXFSG-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.57
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide

N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide (PubChem CID 114612845) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
PubChem CID114612845
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(N)cc1
InChIInChI=1S/C14H14N4O2S/c1-10(11-2-4-12(16)5-3-11)18-21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9-10,18H,16H2,1H3
InChIKeyMSELLUYREFXFSG-UHFFFAOYSA-N
XLogP1.57
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 114613820
6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115616292
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide (CID 114612845) is N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide?
The InChIKey is MSELLUYREFXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10(11-2-4-12(16)5-3-11)18-21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9-10,18H,16H2,1H3.
What are the key properties of N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide?
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114612845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).