2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

C15H16N4O2S — CID 30041228

IUPAC2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNc1ccc(C#N)cn1
InChIInChI=1S/C15H16N4O2S/c1-19(2)22(20,21)14-6-4-3-5-13(14)11-18-15-8-7-12(9-16)10-17-15/h3-8,10H,11H2,1-2H3,(H,17,18)
InChIKeyXJDNIVMEQOVXAE-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.82
Rot. Bonds5

About 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 30041228) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID30041228
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNc1ccc(C#N)cn1
InChIInChI=1S/C15H16N4O2S/c1-19(2)22(20,21)14-6-4-3-5-13(14)11-18-15-8-7-12(9-16)10-17-15/h3-8,10H,11H2,1-2H3,(H,17,18)
InChIKeyXJDNIVMEQOVXAE-UHFFFAOYSA-N
XLogP1.82
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-cyano-2-pyridinyl)amino]methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 56805452
2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133290587
2-[2-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81318485
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041216
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 30041228) is 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CNc1ccc(C#N)cn1.
What is the InChIKey of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XJDNIVMEQOVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-19(2)22(20,21)14-6-4-3-5-13(14)11-18-15-8-7-12(9-16)10-17-15/h3-8,10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 30041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).