4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide

C13H13N5O2S — CID 60620125

IUPAC4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1nccnc1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13N5O2S/c14-9-12-13(18-8-7-16-12)17-6-5-10-1-3-11(4-2-10)21(15,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,15,19,20)
InChIKeyYCWNOTNNBAHENJ-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.65
Rot. Bonds5

About 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 60620125) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID60620125
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1nccnc1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13N5O2S/c14-9-12-13(18-8-7-16-12)17-6-5-10-1-3-11(4-2-10)21(15,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,15,19,20)
InChIKeyYCWNOTNNBAHENJ-UHFFFAOYSA-N
XLogP0.65
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 46337620
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
4-[2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethyl]benzenesulfonamide
CID 56909543
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 133284074
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
4-[2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2960398

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide (CID 60620125) is 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide is N#Cc1nccnc1NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is YCWNOTNNBAHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c14-9-12-13(18-8-7-16-12)17-6-5-10-1-3-11(4-2-10)21(15,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,15,19,20).
What are the key properties of 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 60620125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).