2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid

C14H19NO5S — CID 104654511

IUPAC2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)NCC2CC2C)cc1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-3-20-13-5-4-11(7-12(13)14(16)17)21(18,19)15-8-10-6-9(10)2/h4-5,7,9-10,15H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyFORFQCWYSMYVIR-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.72
Rot. Bonds7

About 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid

2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid (PubChem CID 104654511) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
PubChem CID104654511
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)NCC2CC2C)cc1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-3-20-13-5-4-11(7-12(13)14(16)17)21(18,19)15-8-10-6-9(10)2/h4-5,7,9-10,15H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyFORFQCWYSMYVIR-UHFFFAOYSA-N
XLogP1.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500
2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
CID 69290489
5-(cyanomethylsulfamoyl)-2-propoxybenzoic acid
CID 61209613
2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
CID 171134247
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid (CID 104654511) is 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid is CCOc1ccc(S(=O)(=O)NCC2CC2C)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The InChIKey is FORFQCWYSMYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-3-20-13-5-4-11(7-12(13)14(16)17)21(18,19)15-8-10-6-9(10)2/h4-5,7,9-10,15H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid?
2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 104654511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).