methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate

C18H17N3O4S — CID 55603773

IUPACmethyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17N3O4S/c1-25-18(22)16-8-2-3-9-17(16)26(23,24)20-15-7-4-6-14(12-15)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3
InChIKeyKYFDNOQUUOQABE-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.52
Rot. Bonds6

About methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate

methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate (PubChem CID 55603773) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
PubChem CID55603773
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17N3O4S/c1-25-18(22)16-8-2-3-9-17(16)26(23,24)20-15-7-4-6-14(12-15)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3
InChIKeyKYFDNOQUUOQABE-UHFFFAOYSA-N
XLogP2.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-bromo-2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 47026087
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 95309999
2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate (CID 55603773) is methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate?
The InChIKey is KYFDNOQUUOQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-18(22)16-8-2-3-9-17(16)26(23,24)20-15-7-4-6-14(12-15)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3.
What are the key properties of methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate?
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate has a molecular weight of 371.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 55603773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).