4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

C14H14N4O2S — CID 106997265

IUPAC4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2C)cn1
InChIInChI=1S/C14H14N4O2S/c1-10-5-12(6-15)3-4-14(10)21(19,20)18-9-13-8-16-11(2)7-17-13/h3-5,7-8,18H,9H2,1-2H3
InChIKeyGQYBKWAMMLKBLR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.44
Rot. Bonds4

About 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 106997265) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID106997265
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2C)cn1
InChIInChI=1S/C14H14N4O2S/c1-10-5-12(6-15)3-4-14(10)21(19,20)18-9-13-8-16-11(2)7-17-13/h3-5,7-8,18H,9H2,1-2H3
InChIKeyGQYBKWAMMLKBLR-UHFFFAOYSA-N
XLogP1.44
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 103717223
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836757
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 106997265) is 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2C)cn1.
What is the InChIKey of 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is GQYBKWAMMLKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-5-12(6-15)3-4-14(10)21(19,20)18-9-13-8-16-11(2)7-17-13/h3-5,7-8,18H,9H2,1-2H3.
What are the key properties of 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106997265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).