2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide

C14H14N4O2S — CID 60843814

IUPAC2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccn2)c(C#CCN)c1
InChIInChI=1S/C14H14N4O2S/c1-11-4-5-13(12(9-11)3-2-6-15)21(19,20)18-14-10-16-7-8-17-14/h4-5,7-10H,6,15H2,1H3,(H,17,18)
InChIKeyWFJGLZQTPOLEAN-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide

2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 60843814) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID60843814
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccn2)c(C#CCN)c1
InChIInChI=1S/C14H14N4O2S/c1-11-4-5-13(12(9-11)3-2-6-15)21(19,20)18-14-10-16-7-8-17-14/h4-5,7-10H,6,15H2,1H3,(H,17,18)
InChIKeyWFJGLZQTPOLEAN-UHFFFAOYSA-N
XLogP0.90
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 116529386
2-(3-aminoprop-1-ynyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 60845321
2-(3-aminoprop-1-ynyl)-4-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60844140
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
2-(3-aminoprop-1-ynyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60845884
2-(3-aminoprop-1-ynyl)-4-methyl-N,N-dipropylbenzenesulfonamide
CID 60844109
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481870
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 60814463
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]propane-1-sulfonamide
CID 82766679

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide (CID 60843814) is 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnccn2)c(C#CCN)c1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is WFJGLZQTPOLEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-11-4-5-13(12(9-11)3-2-6-15)21(19,20)18-14-10-16-7-8-17-14/h4-5,7-10H,6,15H2,1H3,(H,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 60843814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).