N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide

C16H22N4O2S — CID 75522952

IUPACN-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cncc(NCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1
InChIInChI=1S/C16H22N4O2S/c1-12(2)8-19-23(21,22)15-6-4-14(5-7-15)10-18-16-11-17-9-13(3)20-16/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,18,20)
InChIKeyUBQKQMFOTNZANA-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.33
Rot. Bonds7

About N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide

N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 75522952) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID75522952
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cncc(NCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1
InChIInChI=1S/C16H22N4O2S/c1-12(2)8-19-23(21,22)15-6-4-14(5-7-15)10-18-16-11-17-9-13(3)20-16/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,18,20)
InChIKeyUBQKQMFOTNZANA-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122049013
N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide
CID 75507248
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
CID 106549687
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
N-[(4-ethoxy-3-methylphenyl)methyl]-6-methylpyrazin-2-amine
CID 133470930
6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 82048417
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 11837026
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 47982497

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide (CID 75522952) is N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide is Cc1cncc(NCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1.
What is the InChIKey of N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is UBQKQMFOTNZANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12(2)8-19-23(21,22)15-6-4-14(5-7-15)10-18-16-11-17-9-13(3)20-16/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 75522952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).