5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 60910701

IUPAC5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H16N4O2S/c1-9-12(8-14-15-9)19(17,18)16-11-6-4-3-5-10(11)7-13-2/h3-6,8,13,16H,7H2,1-2H3,(H,14,15)
InChIKeyOLGWJBCRDOCKBS-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds5

About 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60910701) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60910701
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H16N4O2S/c1-9-12(8-14-15-9)19(17,18)16-11-6-4-3-5-10(11)7-13-2/h3-6,8,13,16H,7H2,1-2H3,(H,14,15)
InChIKeyOLGWJBCRDOCKBS-UHFFFAOYSA-N
XLogP1.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
5-[[2-(methylaminomethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61403636
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 60910701) is 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide is CNCc1ccccc1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is OLGWJBCRDOCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-12(8-14-15-9)19(17,18)16-11-6-4-3-5-10(11)7-13-2/h3-6,8,13,16H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60910701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).