2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C13H18N4O2S — CID 106065065

IUPAC2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C13H18N4O2S/c1-14-9-11-5-3-4-6-13(11)20(18,19)16-10-12-7-8-15-17(12)2/h3-8,14,16H,9-10H2,1-2H3
InChIKeyYFZVNRNHUJDBOJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.62
Rot. Bonds6

About 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106065065) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID106065065
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C13H18N4O2S/c1-14-9-11-5-3-4-6-13(11)20(18,19)16-10-12-7-8-15-17(12)2/h3-8,14,16H,9-10H2,1-2H3
InChIKeyYFZVNRNHUJDBOJ-UHFFFAOYSA-N
XLogP0.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 63303237
3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597314
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 65206650
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 106065065) is 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NCc1ccnn1C.
What is the InChIKey of 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is YFZVNRNHUJDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-14-9-11-5-3-4-6-13(11)20(18,19)16-10-12-7-8-15-17(12)2/h3-8,14,16H,9-10H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106065065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).