methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate

C12H13N3O4S — CID 43431261

IUPACmethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H13N3O4S/c1-15-8-9(7-13-15)20(17,18)14-11-6-4-3-5-10(11)12(16)19-2/h3-8,14H,1-2H3
InChIKeyGOZKUFGHPPXRJY-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate

methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 43431261) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID43431261
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H13N3O4S/c1-15-8-9(7-13-15)20(17,18)14-11-6-4-3-5-10(11)12(16)19-2/h3-8,14H,1-2H3
InChIKeyGOZKUFGHPPXRJY-UHFFFAOYSA-N
XLogP1.01
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061919
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate (CID 43431261) is methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is GOZKUFGHPPXRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-15-8-9(7-13-15)20(17,18)14-11-6-4-3-5-10(11)12(16)19-2/h3-8,14H,1-2H3.
What are the key properties of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate?
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 295.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 43431261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).