methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate

C24H21N3O4S — CID 44607509

IUPACmethyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C24H21N3O4S/c1-31-24(28)22-12-5-6-13-23(22)26-32(29,30)21-11-7-10-19(14-21)20-15-25-27(17-20)16-18-8-3-2-4-9-18/h2-15,17,26H,16H2,1H3
InChIKeyGWQHEYDNRXTXHL-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.19
Rot. Bonds7

About methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate

methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate (PubChem CID 44607509) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate
PubChem CID44607509
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Namemethyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C24H21N3O4S/c1-31-24(28)22-12-5-6-13-23(22)26-32(29,30)21-11-7-10-19(14-21)20-15-25-27(17-20)16-18-8-3-2-4-9-18/h2-15,17,26H,16H2,1H3
InChIKeyGWQHEYDNRXTXHL-UHFFFAOYSA-N
XLogP4.19
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-(1-Benzyl-1H-pyrazol-4-yl)phenyl)sulfonamido)benzoic acid
CID 44607341
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 4451417
2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylamino]-4-fluoro-benzoic acid
CID 44604808
2-[[3-[1-(Naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid
CID 44605022
4-Fluoro-2-[3-(1-naphthalen-2-ylmethyl-1H-pyrazol-3-yl)-benzenesulfonylamino]-benzoic acid
CID 44605023
2-[[3-(1-Benzylpyrazol-4-yl)phenyl]sulfonylamino]-4-chlorobenzoic acid
CID 44607514
Methyl 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76311014
Methyl 3-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76325547
Methyl 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76329099
methyl 3-{[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]amino}-4-methylbenzoate
CID 6465920
methyl 3-{[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino}-4-methylbenzoate
CID 6466039
ethyl 2-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]amino}benzoate
CID 6466633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate (CID 44607509) is methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate?
The InChIKey is GWQHEYDNRXTXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-31-24(28)22-12-5-6-13-23(22)26-32(29,30)21-11-7-10-19(14-21)20-15-25-27(17-20)16-18-8-3-2-4-9-18/h2-15,17,26H,16H2,1H3.
What are the key properties of methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate?
methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate has a molecular weight of 447.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 44607509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).