methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate

C17H19NO6S — CID 139249633

IUPACmethyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19NO6S/c1-11-5-7-12(8-6-11)25(20,21)18-15-14(22-2)10-9-13(16(15)23-3)17(19)24-4/h5-10,18H,1-4H3
InChIKeyAICQYJFTGXHMSB-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.60
Rot. Bonds6

About methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate

methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 139249633) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID139249633
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19NO6S/c1-11-5-7-12(8-6-11)25(20,21)18-15-14(22-2)10-9-13(16(15)23-3)17(19)24-4/h5-10,18H,1-4H3
InChIKeyAICQYJFTGXHMSB-UHFFFAOYSA-N
XLogP2.60
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
methyl 3,4-diamino-2,5-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 118497707
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
2-[[4-[4-[(2-carboxy-6-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-3-methoxybenzoic acid
CID 11250505
methyl 4-fluoro-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372761

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate (CID 139249633) is methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1OC.
What is the InChIKey of methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is AICQYJFTGXHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-11-5-7-12(8-6-11)25(20,21)18-15-14(22-2)10-9-13(16(15)23-3)17(19)24-4/h5-10,18H,1-4H3.
What are the key properties of methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate?
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 365.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 139249633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).