ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate

C15H16Cl2N2O4S2 — CID 36619450

IUPACethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2O4S2/c1-3-18-10-6-5-9(15(20)23-4-2)7-11(10)19-25(21,22)12-8-13(16)24-14(12)17/h5-8,18-19H,3-4H2,1-2H3
InChIKeyDNWRDIQDEUBQOM-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.46
Rot. Bonds7

About ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate

ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate (PubChem CID 36619450) has the molecular formula C15H16Cl2N2O4S2 and a molecular weight of 423.34 g/mol. Its IUPAC name is ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate
PubChem CID36619450
Molecular FormulaC15H16Cl2N2O4S2
Molecular Weight423.34 g/mol
Exact Mass421.99
IUPAC Nameethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2O4S2/c1-3-18-10-6-5-9(15(20)23-4-2)7-11(10)19-25(21,22)12-8-13(16)24-14(12)17/h5-8,18-19H,3-4H2,1-2H3
InChIKeyDNWRDIQDEUBQOM-UHFFFAOYSA-N
XLogP4.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
CID 36619347
ethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619421
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
CID 119672270
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
ethyl 4-[[5-chloro-2-(2-hydroxypropyl)phenyl]sulfonylamino]-3-fluorobenzoate
CID 162716369
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate?
The IUPAC name of ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate (CID 36619450) is ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate.
What is the SMILES notation for ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate?
The canonical SMILES for ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate is CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate?
The InChIKey is DNWRDIQDEUBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S2/c1-3-18-10-6-5-9(15(20)23-4-2)7-11(10)19-25(21,22)12-8-13(16)24-14(12)17/h5-8,18-19H,3-4H2,1-2H3.
What are the key properties of ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate?
ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate has a molecular weight of 423.34 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-(ethylamino)benzoate is sourced from PubChem (CID 36619450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).