[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate

C20H23NO4S — CID 8502968

IUPAC[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H23NO4S/c1-2-21(17-10-4-3-5-11-17)26(23,24)19-14-12-18(13-15-19)25-20(22)16-8-6-7-9-16/h3-5,10-16H,2,6-9H2,1H3
InChIKeyKQEIOTUMIOCOCB-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.00
Rot. Bonds6

About [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate

[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate (PubChem CID 8502968) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
PubChem CID8502968
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H23NO4S/c1-2-21(17-10-4-3-5-11-17)26(23,24)19-14-12-18(13-15-19)25-20(22)16-8-6-7-9-16/h3-5,10-16H,2,6-9H2,1H3
InChIKeyKQEIOTUMIOCOCB-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2678270
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
N-[4-[(4-cyclopentyloxyphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 100501820
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate?
The IUPAC name of [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate (CID 8502968) is [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate.
What is the SMILES notation for [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate?
The canonical SMILES for [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC(=O)C2CCCC2)cc1.
What is the InChIKey of [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate?
The InChIKey is KQEIOTUMIOCOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-2-21(17-10-4-3-5-11-17)26(23,24)19-14-12-18(13-15-19)25-20(22)16-8-6-7-9-16/h3-5,10-16H,2,6-9H2,1H3.
What are the key properties of [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate?
[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate has a molecular weight of 373.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate is sourced from PubChem (CID 8502968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).