[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

C22H19ClN2O5S2 — CID 42120073

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H19ClN2O5S2/c23-17-8-10-19(11-9-17)31-14-15-4-6-16(7-5-15)22(27)30-13-21(26)25-18-2-1-3-20(12-18)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29)
InChIKeyLHONLZCLMGZJLD-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.08
Rot. Bonds8

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate (PubChem CID 42120073) has the molecular formula C22H19ClN2O5S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
PubChem CID42120073
Molecular FormulaC22H19ClN2O5S2
Molecular Weight490.99 g/mol
Exact Mass490.04
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H19ClN2O5S2/c23-17-8-10-19(11-9-17)31-14-15-4-6-16(7-5-15)22(27)30-13-21(26)25-18-2-1-3-20(12-18)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29)
InChIKeyLHONLZCLMGZJLD-UHFFFAOYSA-N
XLogP4.08
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate with MolForge

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 5004260
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 4854090
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 7193300
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2469053
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 8815875
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 7841089
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-nitrobenzoate
CID 3987525
[2-(butylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2416355

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate (CID 42120073) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate?
The InChIKey is LHONLZCLMGZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S2/c23-17-8-10-19(11-9-17)31-14-15-4-6-16(7-5-15)22(27)30-13-21(26)25-18-2-1-3-20(12-18)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate has a molecular weight of 490.99 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate is sourced from PubChem (CID 42120073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).