5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid

C12H17NO5S — CID 102695710

IUPAC5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-8-4-5-10(6-11(8)12(14)15)19(16,17)13-7-9(2)18-3/h4-6,9,13H,7H2,1-3H3,(H,14,15)
InChIKeyLUWFGBPEIVHIGP-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.01
Rot. Bonds6

About 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid

5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid (PubChem CID 102695710) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
PubChem CID102695710
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-8-4-5-10(6-11(8)12(14)15)19(16,17)13-7-9(2)18-3/h4-6,9,13H,7H2,1-3H3,(H,14,15)
InChIKeyLUWFGBPEIVHIGP-UHFFFAOYSA-N
XLogP1.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
CID 102695735
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid (CID 102695710) is 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid is COC(C)CNS(=O)(=O)c1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is LUWFGBPEIVHIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8-4-5-10(6-11(8)12(14)15)19(16,17)13-7-9(2)18-3/h4-6,9,13H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid?
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 102695710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).