[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

C18H16Cl2N2O5S — CID 2544477

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C18H16Cl2N2O5S/c19-11-5-8-14(20)16(9-11)28(25,26)22-15-4-2-1-3-13(15)18(24)27-10-17(23)21-12-6-7-12/h1-5,8-9,12,22H,6-7,10H2,(H,21,23)
InChIKeyNFYOIIZXZSSHQX-UHFFFAOYSA-N
MW443.31 g/mol
LogP3.23
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (PubChem CID 2544477) has the molecular formula C18H16Cl2N2O5S and a molecular weight of 443.31 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
PubChem CID2544477
Molecular FormulaC18H16Cl2N2O5S
Molecular Weight443.31 g/mol
Exact Mass442.02
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C18H16Cl2N2O5S/c19-11-5-8-14(20)16(9-11)28(25,26)22-15-4-2-1-3-13(15)18(24)27-10-17(23)21-12-6-7-12/h1-5,8-9,12,22H,6-7,10H2,(H,21,23)
InChIKeyNFYOIIZXZSSHQX-UHFFFAOYSA-N
XLogP3.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544450
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
CID 24531214
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
[2-(cyclopentylamino)-2-oxoethyl] 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 2366758
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (CID 2544477) is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The InChIKey is NFYOIIZXZSSHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O5S/c19-11-5-8-14(20)16(9-11)28(25,26)22-15-4-2-1-3-13(15)18(24)27-10-17(23)21-12-6-7-12/h1-5,8-9,12,22H,6-7,10H2,(H,21,23).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate has a molecular weight of 443.31 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 [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2544477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).