3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide

C12H16N4O2S — CID 60857834

IUPAC3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-9-11(8-15-16-9)7-14-6-10-3-2-4-12(5-10)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyZTTWPKLMZXVEBG-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.66
Rot. Bonds5

About 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide

3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 60857834) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
PubChem CID60857834
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-9-11(8-15-16-9)7-14-6-10-3-2-4-12(5-10)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyZTTWPKLMZXVEBG-UHFFFAOYSA-N
XLogP0.66
TPSA100.87 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 ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 54982423
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide
CID 79783825
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 115951552
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide (CID 60857834) is 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide is Cc1[nH]ncc1CNCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is ZTTWPKLMZXVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-11(8-15-16-9)7-14-6-10-3-2-4-12(5-10)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60857834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).