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

C18H23N3O4S — CID 42282768

IUPACethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-18(22)14-8-10-15(11-9-14)20-26(23,24)17-12-21(19-13(17)2)16-6-4-5-7-16/h8-12,16,20H,3-7H2,1-2H3
InChIKeyYFLRUKOZEIYXIN-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.28
Rot. Bonds6

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

ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 42282768) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID42282768
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-18(22)14-8-10-15(11-9-14)20-26(23,24)17-12-21(19-13(17)2)16-6-4-5-7-16/h8-12,16,20H,3-7H2,1-2H3
InChIKeyYFLRUKOZEIYXIN-UHFFFAOYSA-N
XLogP3.28
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate (CID 42282768) is ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1.
What is the InChIKey of ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is YFLRUKOZEIYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-25-18(22)14-8-10-15(11-9-14)20-26(23,24)17-12-21(19-13(17)2)16-6-4-5-7-16/h8-12,16,20H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate?
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 377.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 42282768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).