ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate

C17H18ClNO4S — CID 46770519

IUPACethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)15-10-14(8-9-16(15)18)19-24(21,22)11-13-7-5-4-6-12(13)2/h4-10,19H,3,11H2,1-2H3
InChIKeyZENAGUNMHJTMDW-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.77
Rot. Bonds6

About ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate

ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate (PubChem CID 46770519) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
PubChem CID46770519
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-3-23-17(20)15-10-14(8-9-16(15)18)19-24(21,22)11-13-7-5-4-6-12(13)2/h4-10,19H,3,11H2,1-2H3
InChIKeyZENAGUNMHJTMDW-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
CID 30381867
ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
CID 46770198
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994023
ethyl 2-chloro-5-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30393496
ethyl 3-chloro-4-[(2-fluorophenyl)methylsulfonylamino]benzoate
CID 28633567
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 2-chloro-5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzoate
CID 30400702
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate (CID 46770519) is ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate is CCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2C)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate?
The InChIKey is ZENAGUNMHJTMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-23-17(20)15-10-14(8-9-16(15)18)19-24(21,22)11-13-7-5-4-6-12(13)2/h4-10,19H,3,11H2,1-2H3.
What are the key properties of ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate?
ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate has a molecular weight of 367.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate is sourced from PubChem (CID 46770519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).