ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate

C10H11ClN2O5S — CID 54221465

IUPACethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11ClN2O5S/c1-2-18-10(15)9(14)13-7-5-6(11)3-4-8(7)19(12,16)17/h3-5H,2H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyQCWLBHWTFVZYNX-UHFFFAOYSA-N
MW306.73 g/mol
LogP0.49
Rot. Bonds3

About ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate

ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate (PubChem CID 54221465) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate
PubChem CID54221465
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Nameethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11ClN2O5S/c1-2-18-10(15)9(14)13-7-5-6(11)3-4-8(7)19(12,16)17/h3-5H,2H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyQCWLBHWTFVZYNX-UHFFFAOYSA-N
XLogP0.49
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-phenylanilino]-2-oxoacetate
CID 21416812
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
ethyl 3-(4-chloro-2-methylanilino)-2-hydroxyimino-3-oxopropanoate
CID 163220422
ethyl 5-chloro-2-fluorosulfonylbenzoate
CID 165461101
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
CID 12803552
diethyl 2-[(2,5-dichloroanilino)-iodomethylidene]propanedioate
CID 88680000
ethyl 2-[(5-chloro-2-methylanilino)methyl]prop-2-enoate
CID 103230537

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate (CID 54221465) is ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(Cl)ccc1S(N)(=O)=O.
What is the InChIKey of ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate?
The InChIKey is QCWLBHWTFVZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c1-2-18-10(15)9(14)13-7-5-6(11)3-4-8(7)19(12,16)17/h3-5H,2H2,1H3,(H,13,14)(H2,12,16,17).
What are the key properties of ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate?
ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate has a molecular weight of 306.73 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-sulfamoylanilino)-2-oxoacetate is sourced from PubChem (CID 54221465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).