2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide

C14H15N5O2S — CID 133290587

IUPAC2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNc1cnc(C#N)cn1
InChIInChI=1S/C14H15N5O2S/c1-19(2)22(20,21)13-6-4-3-5-11(13)8-17-14-10-16-12(7-15)9-18-14/h3-6,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyOQQRDUXQZPZGON-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.21
Rot. Bonds5

About 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide

2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 133290587) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID133290587
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNc1cnc(C#N)cn1
InChIInChI=1S/C14H15N5O2S/c1-19(2)22(20,21)13-6-4-3-5-11(13)8-17-14-10-16-12(7-15)9-18-14/h3-6,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyOQQRDUXQZPZGON-UHFFFAOYSA-N
XLogP1.21
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 56805452
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
5-(1,3-benzodioxol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 63658356
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041216
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 24603139

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 133290587) is 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CNc1cnc(C#N)cn1.
What is the InChIKey of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OQQRDUXQZPZGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-19(2)22(20,21)13-6-4-3-5-11(13)8-17-14-10-16-12(7-15)9-18-14/h3-6,9-10H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 133290587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).