methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate

C14H19NO5S — CID 102920398

IUPACmethyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H19NO5S/c1-15(10-11-6-5-9-20-11)21(17,18)13-8-4-3-7-12(13)14(16)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyJXANGVYAKHLIJL-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.27
Rot. Bonds5

About methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate

methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 102920398) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
PubChem CID102920398
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H19NO5S/c1-15(10-11-6-5-9-20-11)21(17,18)13-8-4-3-7-12(13)14(16)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyJXANGVYAKHLIJL-UHFFFAOYSA-N
XLogP1.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
2-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436014
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
CID 65166161
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436120
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 16833634

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate (CID 102920398) is methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(C)CC1CCCO1.
What is the InChIKey of methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is JXANGVYAKHLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-15(10-11-6-5-9-20-11)21(17,18)13-8-4-3-7-12(13)14(16)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate?
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 102920398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).