(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

C17H18ClNO5S — CID 7878752

IUPAC(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOc1ccccc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-19(2)25(21,22)13-8-9-15(18)14(10-13)17(20)24-11-12-6-4-5-7-16(12)23-3/h4-10H,11H2,1-3H3
InChIKeyWDMFUVKCKLGMDN-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.96
Rot. Bonds6

About (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 7878752) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID7878752
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOc1ccccc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-19(2)25(21,22)13-8-9-15(18)14(10-13)17(20)24-11-12-6-4-5-7-16(12)23-3/h4-10H,11H2,1-3H3
InChIKeyWDMFUVKCKLGMDN-UHFFFAOYSA-N
XLogP2.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878758
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 30788136
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2635372
(5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976209
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 55391584
(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994023
(4,5-dimethoxy-2-methylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7466287
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654385
(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523778
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648922

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 7878752) is (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is COc1ccccc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is WDMFUVKCKLGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-19(2)25(21,22)13-8-9-15(18)14(10-13)17(20)24-11-12-6-4-5-7-16(12)23-3/h4-10H,11H2,1-3H3.
What are the key properties of (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 383.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7878752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).