N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide

C18H18N4O3S — CID 28766410

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-8-6-16(7-9-17)18(23)20-10-15-11-21-22(13-15)12-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,20,23)(H2,19,24,25)
InChIKeyJLABUVZOQDALSC-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.51
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide (PubChem CID 28766410) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide
PubChem CID28766410
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-8-6-16(7-9-17)18(23)20-10-15-11-21-22(13-15)12-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,20,23)(H2,19,24,25)
InChIKeyJLABUVZOQDALSC-UHFFFAOYSA-N
XLogP1.51
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide (CID 28766410) is N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide?
The InChIKey is JLABUVZOQDALSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)17-8-6-16(7-9-17)18(23)20-10-15-11-21-22(13-15)12-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,20,23)(H2,19,24,25).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 28766410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).