ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate

C16H17ClN2O4S — CID 164621079

IUPACethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-2-23-16(20)15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)24(18,21)22/h3-10,15,19H,2H2,1H3,(H2,18,21,22)
InChIKeyPSCVBIJISQVNJD-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.70
Rot. Bonds6

About ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate

ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate (PubChem CID 164621079) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate
PubChem CID164621079
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Nameethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-2-23-16(20)15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)24(18,21)22/h3-10,15,19H,2H2,1H3,(H2,18,21,22)
InChIKeyPSCVBIJISQVNJD-UHFFFAOYSA-N
XLogP2.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate (CID 164621079) is ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate is CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate?
The InChIKey is PSCVBIJISQVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-2-23-16(20)15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)24(18,21)22/h3-10,15,19H,2H2,1H3,(H2,18,21,22).
What are the key properties of ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate?
ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate has a molecular weight of 368.84 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate is sourced from PubChem (CID 164621079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).