ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate

C17H19FN2O4S — CID 36619347

IUPACethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-19-15-9-8-12(17(21)24-4-2)10-16(15)20-25(22,23)14-7-5-6-13(18)11-14/h5-11,19-20H,3-4H2,1-2H3
InChIKeyUQKOAJIPBNOQOJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.23
Rot. Bonds7

About ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate

ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate (PubChem CID 36619347) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
PubChem CID36619347
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Nameethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-19-15-9-8-12(17(21)24-4-2)10-16(15)20-25(22,23)14-7-5-6-13(18)11-14/h5-11,19-20H,3-4H2,1-2H3
InChIKeyUQKOAJIPBNOQOJ-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619421
ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619450
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
ethyl 3-(2-methylbutan-2-ylsulfamoyl)benzoate
CID 60610967
ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
CID 119672270
ethyl (Z)-2-cyano-3-[2-[(3-fluorophenyl)sulfonylamino]anilino]prop-2-enoate
CID 47006139
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
CID 22272539
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
lithium 3-ethoxycarbonylbenzenesulfonate
CID 161286233

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate (CID 36619347) is ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate is CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is UQKOAJIPBNOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-19-15-9-8-12(17(21)24-4-2)10-16(15)20-25(22,23)14-7-5-6-13(18)11-14/h5-11,19-20H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate?
ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 366.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 36619347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).