2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

C13H16N4O3S — CID 106072006

IUPAC2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCNCc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H16N4O3S/c1-14-9-10-4-5-11(20-2)12(8-10)21(18,19)17-13-15-6-3-7-16-13/h3-8,14H,9H2,1-2H3,(H,15,16,17)
InChIKeyPLPAIEOUQFDEIA-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.01
Rot. Bonds6

About 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106072006) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106072006
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCNCc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H16N4O3S/c1-14-9-10-4-5-11(20-2)12(8-10)21(18,19)17-13-15-6-3-7-16-13/h3-8,14H,9H2,1-2H3,(H,15,16,17)
InChIKeyPLPAIEOUQFDEIA-UHFFFAOYSA-N
XLogP1.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
2-methoxy-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079747
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 106054326
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 106072006) is 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is CNCc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1.
What is the InChIKey of 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is PLPAIEOUQFDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-14-9-10-4-5-11(20-2)12(8-10)21(18,19)17-13-15-6-3-7-16-13/h3-8,14H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106072006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).