methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate

C18H16ClNO5S — CID 22429125

IUPACmethyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClNO5S/c1-25-16(21)14-4-2-3-5-15(14)20-17(22)18(10-11-18)26(23,24)13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyDELIAARXTPSIFL-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate

methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate (PubChem CID 22429125) has the molecular formula C18H16ClNO5S and a molecular weight of 393.85 g/mol. Its IUPAC name is methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate
PubChem CID22429125
Molecular FormulaC18H16ClNO5S
Molecular Weight393.85 g/mol
Exact Mass393.04
IUPAC Namemethyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClNO5S/c1-25-16(21)14-4-2-3-5-15(14)20-17(22)18(10-11-18)26(23,24)13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyDELIAARXTPSIFL-UHFFFAOYSA-N
XLogP3.07
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 726578
Methyl 2-[3-(4-bromophenyl)sulfonylpropanoylamino]benzoate
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2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
CID 2272355
Bay-8002
CID 992293
2-(2-Phenylsulfanyl-acetylamino)-benzoic acid ethyl ester
CID 846473
Methyl 2-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
CID 904035
Methyl 2-{[2-(methylthio)benzoyl]amino}benzoate
CID 967699
Methyl 2-[({4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl}carbonyl)amino]benzoate
CID 2205590
Dimethyl 5-[({1-[(4-chlorophenyl)sulfonyl]cyclopropyl}carbonyl)amino]isophthalate
CID 12005070
Ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoate
CID 12005128
2-({[(4-Chlorophenyl)sulfanyl]acetyl}amino)benzoic acid
CID 816087
Ethyl 4-(2-((4-chlorophenyl)thio)acetamido)benzoate
CID 678987

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate (CID 22429125) is methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate?
The InChIKey is DELIAARXTPSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5S/c1-25-16(21)14-4-2-3-5-15(14)20-17(22)18(10-11-18)26(23,24)13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate has a molecular weight of 393.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-chlorophenyl)sulfonylcyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 22429125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).