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

C18H18N4O4S — CID 39331258

IUPAC2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O
InChIInChI=1S/C18H18N4O4S/c1-26-17-7-6-15(11-16(17)18(19)23)27(24,25)21-14-5-2-4-13(10-14)12-22-9-3-8-20-22/h2-11,21H,12H2,1H3,(H2,19,23)
InChIKeyJGSXMALRGTYXBV-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.84
Rot. Bonds7

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

2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (PubChem CID 39331258) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
PubChem CID39331258
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O
InChIInChI=1S/C18H18N4O4S/c1-26-17-7-6-15(11-16(17)18(19)23)27(24,25)21-14-5-2-4-13(10-14)12-22-9-3-8-20-22/h2-11,21H,12H2,1H3,(H2,19,23)
InChIKeyJGSXMALRGTYXBV-UHFFFAOYSA-N
XLogP1.84
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
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
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
CID 171134322
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
2-methoxy-5-[[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]sulfamoyl]benzamide
CID 122285031
methyl 5-bromo-2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 47026087
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 53283048

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide (CID 39331258) is 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is JGSXMALRGTYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-26-17-7-6-15(11-16(17)18(19)23)27(24,25)21-14-5-2-4-13(10-14)12-22-9-3-8-20-22/h2-11,21H,12H2,1H3,(H2,19,23).
What are the key properties of 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide?
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 39331258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).