4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid

C11H15NO5S — CID 2119871

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H15NO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12H,1-3H3,(H,13,14)
InChIKeyPKEODVXQCNEPJX-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.08
Rot. Bonds5

About 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid

4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 2119871) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID2119871
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H15NO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12H,1-3H3,(H,13,14)
InChIKeyPKEODVXQCNEPJX-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
4-Methoxy-3-{[3-(2-oxopyrrolidin-1-yl)propyl]sulfamoyl}benzoic acid
CID 2378290
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869
5-[(Isopropylamino)sulfonyl]-2,4-dimethoxybenzoic acid
CID 2203685

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid (CID 2119871) is 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is PKEODVXQCNEPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid?
4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 2119871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).