N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide

C14H14N4O2S — CID 106593181

IUPACN-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H14N4O2S/c15-10-13-14(2-1-8-17-13)21(19,20)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,18H,7,9,16H2
InChIKeyWUJXGNLCEZMKLE-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide

N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide (PubChem CID 106593181) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
PubChem CID106593181
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H14N4O2S/c15-10-13-14(2-1-8-17-13)21(19,20)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,18H,7,9,16H2
InChIKeyWUJXGNLCEZMKLE-UHFFFAOYSA-N
XLogP1.06
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593209
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 120715586
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120715585
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide (CID 106593181) is N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide?
The InChIKey is WUJXGNLCEZMKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-13-14(2-1-8-17-13)21(19,20)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,18H,7,9,16H2.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide?
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106593181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).