3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid

C17H19NO6S — CID 7516507

IUPAC3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1
InChIInChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-9-13(23-3)5-6-15(14)24-4/h5-9,18H,1-4H3,(H,19,20)
InChIKeyUPERAQUJKPSGOG-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.82
Rot. Bonds6

About 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid

3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid (PubChem CID 7516507) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
PubChem CID7516507
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1
InChIInChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-9-13(23-3)5-6-15(14)24-4/h5-9,18H,1-4H3,(H,19,20)
InChIKeyUPERAQUJKPSGOG-UHFFFAOYSA-N
XLogP2.82
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9236181
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516474
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid (CID 7516507) is 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid is COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The InChIKey is UPERAQUJKPSGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-9-13(23-3)5-6-15(14)24-4/h5-9,18H,1-4H3,(H,19,20).
What are the key properties of 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid has a molecular weight of 365.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid is sourced from PubChem (CID 7516507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).