methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate

C12H17NO6S — CID 126134738

IUPACmethyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO6S/c1-18-12(15)9-19-10-3-5-11(6-4-10)20(16,17)13-7-2-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyFOIVXZUQKKSUJR-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.10
Rot. Bonds8

About methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate

methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate (PubChem CID 126134738) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
PubChem CID126134738
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Namemethyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO6S/c1-18-12(15)9-19-10-3-5-11(6-4-10)20(16,17)13-7-2-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyFOIVXZUQKKSUJR-UHFFFAOYSA-N
XLogP-0.10
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
methyl 2-[4-[2-[(4-methylphenyl)sulfonylamino]-1-sulfanylethyl]phenoxy]acetate
CID 57291912
N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
CID 100815509
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
CID 22096865
[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
CID 11552296
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
2-[4-(pent-4-ynylsulfamoyl)phenoxy]acetic acid
CID 106220067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate (CID 126134738) is methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1.
What is the InChIKey of methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate?
The InChIKey is FOIVXZUQKKSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-18-12(15)9-19-10-3-5-11(6-4-10)20(16,17)13-7-2-8-14/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate?
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate has a molecular weight of 303.34 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 126134738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).