3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C18H18N4O3S — CID 74249008

IUPAC3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-c3cn[nH]c3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-6-4-13(5-7-17)8-9-20-18(23)15-3-1-2-14(10-15)16-11-21-22-12-16/h1-7,10-12H,8-9H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyQPDZVLKGNNZASJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.70
Rot. Bonds6

About 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 74249008) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID74249008
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-c3cn[nH]c3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-6-4-13(5-7-17)8-9-20-18(23)15-3-1-2-14(10-15)16-11-21-22-12-16/h1-7,10-12H,8-9H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyQPDZVLKGNNZASJ-UHFFFAOYSA-N
XLogP1.70
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
CID 110332104
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 74249008) is 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-c3cn[nH]c3)c2)cc1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is QPDZVLKGNNZASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)17-6-4-13(5-7-17)8-9-20-18(23)15-3-1-2-14(10-15)16-11-21-22-12-16/h1-7,10-12H,8-9H2,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 74249008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).