methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate

C14H19NO5S — CID 43577601

IUPACmethyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-14(17)12-4-2-11(3-5-12)10-21(18,19)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3
InChIKeySWQGUFMWUAZEHM-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.76
Rot. Bonds7

About methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate

methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate (PubChem CID 43577601) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
PubChem CID43577601
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-14(17)12-4-2-11(3-5-12)10-21(18,19)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3
InChIKeySWQGUFMWUAZEHM-UHFFFAOYSA-N
XLogP0.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate
CID 115755408
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
CID 43576669
1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61451821
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
CID 60950870
methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 46770861
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate?
The IUPAC name of methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate (CID 43577601) is methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate?
The canonical SMILES for methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)N(CCO)C2CC2)cc1.
What is the InChIKey of methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate?
The InChIKey is SWQGUFMWUAZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-14(17)12-4-2-11(3-5-12)10-21(18,19)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3.
What are the key properties of methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate?
methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate is sourced from PubChem (CID 43577601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).