methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate

C14H21NO5S — CID 115755408

IUPACmethyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate
SMILESCCN(CCCO)S(=O)(=O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-3-15(9-4-10-16)21(18,19)11-12-5-7-13(8-6-12)14(17)20-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyQSYMXJYHQUPVPK-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.01
Rot. Bonds8

About methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate

methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate (PubChem CID 115755408) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate
PubChem CID115755408
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate
SMILESCCN(CCCO)S(=O)(=O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-3-15(9-4-10-16)21(18,19)11-12-5-7-13(8-6-12)14(17)20-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyQSYMXJYHQUPVPK-UHFFFAOYSA-N
XLogP1.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
CID 43577601
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 46770861
methyl 4-(2-methoxyethylsulfonylmethyl)benzoate
CID 43414320
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol;terephthalic acid
CID 174780069
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
methyl 4-[[(2S)-butan-2-yl]sulfamoylmethyl]benzoate
CID 28633793

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate?
The IUPAC name of methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate (CID 115755408) is methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate?
The canonical SMILES for methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate is CCN(CCCO)S(=O)(=O)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate?
The InChIKey is QSYMXJYHQUPVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-3-15(9-4-10-16)21(18,19)11-12-5-7-13(8-6-12)14(17)20-2/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate?
methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate has a molecular weight of 315.39 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[ethyl(3-hydroxypropyl)sulfamoyl]methyl]benzoate is sourced from PubChem (CID 115755408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).