ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C21H23ClN2O7S — CID 46764473

IUPACethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl
InChIInChI=1S/C21H23ClN2O7S/c1-3-31-21(26)16-12-14(4-6-18(16)22)23-20(25)17-13-15(5-7-19(17)29-2)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYFQRUTRIEUEPLW-UHFFFAOYSA-N
MW482.94 g/mol
LogP2.80
Rot. Bonds7

About ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 46764473) has the molecular formula C21H23ClN2O7S and a molecular weight of 482.94 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID46764473
Molecular FormulaC21H23ClN2O7S
Molecular Weight482.94 g/mol
Exact Mass482.09
IUPAC Nameethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl
InChIInChI=1S/C21H23ClN2O7S/c1-3-31-21(26)16-12-14(4-6-18(16)22)23-20(25)17-13-15(5-7-19(17)29-2)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYFQRUTRIEUEPLW-UHFFFAOYSA-N
XLogP2.80
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
ethyl 5-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-2-chlorobenzoate
CID 28634134
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43882681
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26253160
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600393
(5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3513631
2-methoxy-5-morpholin-4-ylsulfonyl-N-(4-phenylmethoxyphenyl)benzamide
CID 27843834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 46764473) is ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is YFQRUTRIEUEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O7S/c1-3-31-21(26)16-12-14(4-6-18(16)22)23-20(25)17-13-15(5-7-19(17)29-2)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 482.94 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 46764473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).