methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate

C9H11NO5S — CID 19812513

IUPACmethyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
SMILESCOC(=O)c1cc(CO)ccc1S(N)(=O)=O
InChIInChI=1S/C9H11NO5S/c1-15-9(12)7-4-6(5-11)2-3-8(7)16(10,13)14/h2-4,11H,5H2,1H3,(H2,10,13,14)
InChIKeyCQEYCSKGJKOECK-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.39
Rot. Bonds3

About methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate

methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate (PubChem CID 19812513) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
PubChem CID19812513
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Namemethyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
SMILESCOC(=O)c1cc(CO)ccc1S(N)(=O)=O
InChIInChI=1S/C9H11NO5S/c1-15-9(12)7-4-6(5-11)2-3-8(7)16(10,13)14/h2-4,11H,5H2,1H3,(H2,10,13,14)
InChIKeyCQEYCSKGJKOECK-UHFFFAOYSA-N
XLogP-0.39
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(hydroxymethyl)benzoate
CID 602338
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
methyl 4-(hydroxymethyl)-2-propan-2-ylbenzoate
CID 171784166
methyl 4-(hydroxymethyl)-2-(propylsulfonylamino)benzoate
CID 67529286
methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
methyl 2,4-dimethoxy-5-sulfamoylbenzoate
CID 63840880
methyl 2-bromo-4-methyl-5-sulfamoylbenzoate
CID 18937264
methyl 2-bromo-5-[4-(hydroxymethyl)phenyl]benzoate
CID 170794940
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 4-ethyl-2-propan-2-yl-5-sulfamoylbenzoate
CID 18937045
methyl 2-(butanoylamino)-4-(hydroxymethyl)benzoate
CID 57443332
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779

Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate?
The IUPAC name of methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate (CID 19812513) is methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate.
What is the SMILES notation for methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate?
The canonical SMILES for methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate is COC(=O)c1cc(CO)ccc1S(N)(=O)=O.
What is the InChIKey of methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate?
The InChIKey is CQEYCSKGJKOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-15-9(12)7-4-6(5-11)2-3-8(7)16(10,13)14/h2-4,11H,5H2,1H3,(H2,10,13,14).
What are the key properties of methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate?
methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate has a molecular weight of 245.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate is sourced from PubChem (CID 19812513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).