N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide

C14H14N4O2S — CID 78965166

IUPACN-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(N)c1
InChIInChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2
InChIKeyBODMUIBFFCBTIH-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.52
Rot. Bonds5

About N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide

N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 78965166) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID78965166
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(N)c1
InChIInChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2
InChIKeyBODMUIBFFCBTIH-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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

N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
3-amino-4-(pyridin-4-ylamino)benzonitrile
CID 115127397
N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
CID 82013705
N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
CID 79503872
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
3-amino-4-(2-phenylethylamino)benzonitrile
CID 43518024
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide (CID 78965166) is N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide is N#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is BODMUIBFFCBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-12-1-2-14(13(16)9-12)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,16H2.
What are the key properties of N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 78965166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).