5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid

C15H21NO5S — CID 138001424

IUPAC5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid
SMILESCOCCC1(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)CCC1
InChIInChI=1S/C15H21NO5S/c1-11-4-5-12(10-13(11)14(17)18)22(19,20)16-15(6-3-7-15)8-9-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyLNZJHTUOZPGROQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.93
Rot. Bonds7

About 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid

5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 138001424) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID138001424
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid
SMILESCOCCC1(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)CCC1
InChIInChI=1S/C15H21NO5S/c1-11-4-5-12(10-13(11)14(17)18)22(19,20)16-15(6-3-7-15)8-9-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyLNZJHTUOZPGROQ-UHFFFAOYSA-N
XLogP1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 114099289
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107848139
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid (CID 138001424) is 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid is COCCC1(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)CCC1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is LNZJHTUOZPGROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-11-4-5-12(10-13(11)14(17)18)22(19,20)16-15(6-3-7-15)8-9-21-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid?
5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 327.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)cyclobutyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 138001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).