2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C12H16N4O2S — CID 106016129

IUPAC2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-13-9-11-4-2-3-5-12(11)19(17,18)16-8-10-6-14-15-7-10/h2-7,13,16H,8-9H2,1H3,(H,14,15)
InChIKeyONPPUNHSGSUBML-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.61
Rot. Bonds6

About 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 106016129) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID106016129
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-13-9-11-4-2-3-5-12(11)19(17,18)16-8-10-6-14-15-7-10/h2-7,13,16H,8-9H2,1H3,(H,14,15)
InChIKeyONPPUNHSGSUBML-UHFFFAOYSA-N
XLogP0.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897073
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963
3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 115992191
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 106016129) is 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is ONPPUNHSGSUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-13-9-11-4-2-3-5-12(11)19(17,18)16-8-10-6-14-15-7-10/h2-7,13,16H,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106016129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).