ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate

C15H19N3O4S — CID 19683978

IUPACethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2cn(CC)nc2C)c1
InChIInChI=1S/C15H19N3O4S/c1-4-18-10-14(11(3)16-18)23(20,21)17-13-8-6-7-12(9-13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3
InChIKeyZLNIWNUBYGMXEW-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.19
Rot. Bonds6

About ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate

ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 19683978) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID19683978
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2cn(CC)nc2C)c1
InChIInChI=1S/C15H19N3O4S/c1-4-18-10-14(11(3)16-18)23(20,21)17-13-8-6-7-12(9-13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3
InChIKeyZLNIWNUBYGMXEW-UHFFFAOYSA-N
XLogP2.19
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate (CID 19683978) is ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2cn(CC)nc2C)c1.
What is the InChIKey of ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is ZLNIWNUBYGMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-18-10-14(11(3)16-18)23(20,21)17-13-8-6-7-12(9-13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3.
What are the key properties of ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 337.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 19683978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).