methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate

C17H19NO5S — CID 12861968

IUPACmethyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)13-7-10-15(17(19)23-4)16(11-13)22-3/h5-11H,1-4H3
InChIKeyNJLYGHOWFTYXQA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate

methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 12861968) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
PubChem CID12861968
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)13-7-10-15(17(19)23-4)16(11-13)22-3/h5-11H,1-4H3
InChIKeyNJLYGHOWFTYXQA-UHFFFAOYSA-N
XLogP2.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 4324618
N-(2-(diethylamino)ethyl)-5-iodo-2-methoxy-4-(tosylamino)-benzamide
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N-[4-[7-(diethylamino)-2-oxochromene-3-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 44463026
N-[4-[7-(diethylamino)-2-oxochromene-3-carbonyl]phenyl]benzenesulfonamide
CID 44463282
2-hydroxy-4-(N-isobutyl-4-phenoxyphenyl-sulfonamido) benzoic acid
CID 126480754
4-(N-benzyl-[1,1''-biphenyl]-4-ylsulfonamido)-2-hydroxybenzoic acid
CID 126480756
4-(4-(3,5-dimethylphenoxy)-N-isobutylphenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480761
2-hydroxy-4-(N-isobutyl-4-(p-tolyloxy)phenyl-sulfonamido) benzoic acid
CID 126480889
2-hydroxy-4-(N-isobutyl-[1,1''-biphenyl]-4-ylsulfonamido) benzoic acid
CID 135238741
4-(N-cyclopentyl-[1,1''-biphenyl]-4-ylsulfonamido)-2-hydroxybenzoic acid
CID 135238751
N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide
CID 11843154
Methyl 2-methoxy-5-[[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 16283379

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate (CID 12861968) is methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is NJLYGHOWFTYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)13-7-10-15(17(19)23-4)16(11-13)22-3/h5-11H,1-4H3.
What are the key properties of methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 349.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 12861968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).