2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide

C20H22N4O4S — CID 171134294

IUPAC2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O
InChIInChI=1S/C20H22N4O4S/c1-2-11-28-19-8-7-17(13-18(19)20(21)25)29(26,27)23-16-6-3-5-15(12-16)14-24-10-4-9-22-24/h3-10,12-13,23H,2,11,14H2,1H3,(H2,21,25)
InChIKeyPOUDVSKUOKIPIG-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.62
Rot. Bonds9

About 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide

2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (PubChem CID 171134294) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
PubChem CID171134294
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O
InChIInChI=1S/C20H22N4O4S/c1-2-11-28-19-8-7-17(13-18(19)20(21)25)29(26,27)23-16-6-3-5-15(12-16)14-24-10-4-9-22-24/h3-10,12-13,23H,2,11,14H2,1H3,(H2,21,25)
InChIKeyPOUDVSKUOKIPIG-UHFFFAOYSA-N
XLogP2.62
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
CID 171134322
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
methyl 5-bromo-2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 47026087
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (CID 171134294) is 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is CCCOc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O.
What is the InChIKey of 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is POUDVSKUOKIPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-2-11-28-19-8-7-17(13-18(19)20(21)25)29(26,27)23-16-6-3-5-15(12-16)14-24-10-4-9-22-24/h3-10,12-13,23H,2,11,14H2,1H3,(H2,21,25).
What are the key properties of 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 171134294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).