4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide

C18H20N4O2S — CID 122198913

IUPAC4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C18H20N4O2S/c19-25(23,24)18-8-6-15(7-9-18)10-20-11-17-12-21-22(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,20H,10-11,13H2,(H2,19,23,24)
InChIKeyDWXYDXNQHYTCBS-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.87
Rot. Bonds7

About 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide

4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 122198913) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
PubChem CID122198913
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C18H20N4O2S/c19-25(23,24)18-8-6-15(7-9-18)10-20-11-17-12-21-22(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,20H,10-11,13H2,(H2,19,23,24)
InChIKeyDWXYDXNQHYTCBS-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415339
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
(E)-3-(1-benzylpyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 9080575
1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 38059529

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide (CID 122198913) is 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is DWXYDXNQHYTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c19-25(23,24)18-8-6-15(7-9-18)10-20-11-17-12-21-22(14-17)13-16-4-2-1-3-5-16/h1-9,12,14,20H,10-11,13H2,(H2,19,23,24).
What are the key properties of 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide?
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 122198913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).