3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid

C15H21NO6S — CID 146107866

IUPAC3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1C(C)OC(C)C1C
InChIInChI=1S/C15H21NO6S/c1-8-9(2)22-10(3)14(8)16-23(19,20)13-6-5-11(15(17)18)7-12(13)21-4/h5-10,14,16H,1-4H3,(H,17,18)
InChIKeyVJKRUKXVXDKJGL-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.48
Rot. Bonds5

About 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid

3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid (PubChem CID 146107866) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid
PubChem CID146107866
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1C(C)OC(C)C1C
InChIInChI=1S/C15H21NO6S/c1-8-9(2)22-10(3)14(8)16-23(19,20)13-6-5-11(15(17)18)7-12(13)21-4/h5-10,14,16H,1-4H3,(H,17,18)
InChIKeyVJKRUKXVXDKJGL-UHFFFAOYSA-N
XLogP1.48
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102694641
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3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
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CID 139020337
3-methoxy-4-(prop-2-ynylsulfamoyl)benzoic acid
CID 102694677
4-[(3-hydroxy-2-methylbutan-2-yl)sulfamoyl]-3-methoxybenzoic acid
CID 102695497
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
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CID 102695239

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid (CID 146107866) is 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)NC1C(C)OC(C)C1C.
What is the InChIKey of 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid?
The InChIKey is VJKRUKXVXDKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-8-9(2)22-10(3)14(8)16-23(19,20)13-6-5-11(15(17)18)7-12(13)21-4/h5-10,14,16H,1-4H3,(H,17,18).
What are the key properties of 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid?
3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid has a molecular weight of 343.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 146107866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).