2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C14H19N3O2S — CID 22207763

IUPAC2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)15-9-13-5-6-17(4)16-13/h5-8,15H,9H2,1-4H3
InChIKeyDPKPQSXVBXOPNJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.82
Rot. Bonds4

About 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 22207763) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID22207763
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)15-9-13-5-6-17(4)16-13/h5-8,15H,9H2,1-4H3
InChIKeyDPKPQSXVBXOPNJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 82872630
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
5-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106076387
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882446
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 22207763) is 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccn(C)n2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is DPKPQSXVBXOPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)15-9-13-5-6-17(4)16-13/h5-8,15H,9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22207763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).