methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate

C15H19N3O4S — CID 42282484

IUPACmethyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(2)18-9-14(11(3)16-18)23(20,21)17-13-7-5-12(6-8-13)15(19)22-4/h5-10,17H,1-4H3
InChIKeyUHFRNKTVAZKOMS-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.36
Rot. Bonds5

About methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate

methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 42282484) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID42282484
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Namemethyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(2)18-9-14(11(3)16-18)23(20,21)17-13-7-5-12(6-8-13)15(19)22-4/h5-10,17H,1-4H3
InChIKeyUHFRNKTVAZKOMS-UHFFFAOYSA-N
XLogP2.36
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
CID 167775799
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate (CID 42282484) is methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1.
What is the InChIKey of methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is UHFRNKTVAZKOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10(2)18-9-14(11(3)16-18)23(20,21)17-13-7-5-12(6-8-13)15(19)22-4/h5-10,17H,1-4H3.
What are the key properties of methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate?
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 337.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 42282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).