2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C14H20N4O2S — CID 106018292

IUPAC2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H20N4O2S/c1-11-13(9-15-2)5-4-6-14(11)21(19,20)17-8-12-7-16-18(3)10-12/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyJDHBBFADVVIKJD-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.93
Rot. Bonds6

About 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106018292) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID106018292
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H20N4O2S/c1-11-13(9-15-2)5-4-6-14(11)21(19,20)17-8-12-7-16-18(3)10-12/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyJDHBBFADVVIKJD-UHFFFAOYSA-N
XLogP0.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)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-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
5-(aminomethyl)-2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018285
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 106018292) is 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCc2cnn(C)c2)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is JDHBBFADVVIKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-13(9-15-2)5-4-6-14(11)21(19,20)17-8-12-7-16-18(3)10-12/h4-7,10,15,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106018292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).