3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid

C12H15NO5S — CID 102695439

IUPAC3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H15NO5S/c1-12(5-6-12)13-19(16,17)10-4-3-8(11(14)15)7-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGBDLMBNOGPUEGF-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.22
Rot. Bonds5

About 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid

3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid (PubChem CID 102695439) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
PubChem CID102695439
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H15NO5S/c1-12(5-6-12)13-19(16,17)10-4-3-8(11(14)15)7-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGBDLMBNOGPUEGF-UHFFFAOYSA-N
XLogP1.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylcyclopropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694792
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-3-methoxybenzoic acid
CID 102695513
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
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-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695239
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
4-(3-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 102695016
3-methoxy-4-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 102695281

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid (CID 102695439) is 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The InChIKey is GBDLMBNOGPUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-12(5-6-12)13-19(16,17)10-4-3-8(11(14)15)7-9(10)18-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102695439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).