methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

C17H18ClNO4S — CID 40727014

IUPACmethyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-10-7-11(2)16(12(3)8-10)24(21,22)19-13-5-6-15(18)14(9-13)17(20)23-4/h5-9,19H,1-4H3
InChIKeyICLJFLMZZRYHQS-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.85
Rot. Bonds4

About methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (PubChem CID 40727014) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
PubChem CID40727014
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namemethyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-10-7-11(2)16(12(3)8-10)24(21,22)19-13-5-6-15(18)14(9-13)17(20)23-4/h5-9,19H,1-4H3
InChIKeyICLJFLMZZRYHQS-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (CID 40727014) is methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is COC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The InChIKey is ICLJFLMZZRYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-10-7-11(2)16(12(3)8-10)24(21,22)19-13-5-6-15(18)14(9-13)17(20)23-4/h5-9,19H,1-4H3.
What are the key properties of methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate has a molecular weight of 367.85 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 40727014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).