methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

C20H21ClN2O6S — CID 92672400

IUPACmethyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN2O6S/c1-28-20(25)17-12-16(6-7-18(17)21)22-19(24)15-4-2-14(3-5-15)13-30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyBJVDMDRRMFWVDK-UHFFFAOYSA-N
MW452.92 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 92672400) has the molecular formula C20H21ClN2O6S and a molecular weight of 452.92 g/mol. Its IUPAC name is methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID92672400
Molecular FormulaC20H21ClN2O6S
Molecular Weight452.92 g/mol
Exact Mass452.08
IUPAC Namemethyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN2O6S/c1-28-20(25)17-12-16(6-7-18(17)21)22-19(24)15-4-2-14(3-5-15)13-30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyBJVDMDRRMFWVDK-UHFFFAOYSA-N
XLogP2.54
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (CID 92672400) is methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is BJVDMDRRMFWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O6S/c1-28-20(25)17-12-16(6-7-18(17)21)22-19(24)15-4-2-14(3-5-15)13-30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24).
What are the key properties of methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate has a molecular weight of 452.92 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 92672400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).