[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

C15H19NO7S — CID 39964299

IUPAC[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H19NO7S/c1-9-7-12(15(18)22-9)23-14(17)10-5-6-11(21-4)13(8-10)24(19,20)16(2)3/h5-6,8-9,12H,7H2,1-4H3/t9-,12-/m0/s1
InChIKeyPZMACRKXHZOVPK-CABZTGNLSA-N
MW357.38 g/mol
LogP0.81
Rot. Bonds5

About [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 39964299) has the molecular formula C15H19NO7S and a molecular weight of 357.38 g/mol. Its IUPAC name is [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID39964299
Molecular FormulaC15H19NO7S
Molecular Weight357.38 g/mol
Exact Mass357.09
IUPAC Name[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H19NO7S/c1-9-7-12(15(18)22-9)23-14(17)10-5-6-11(21-4)13(8-10)24(19,20)16(2)3/h5-6,8-9,12H,7H2,1-4H3/t9-,12-/m0/s1
InChIKeyPZMACRKXHZOVPK-CABZTGNLSA-N
XLogP0.81
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 9453024
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722309
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973541
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate
CID 51930960
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 94448571
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973357
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 39964299) is [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is PZMACRKXHZOVPK-CABZTGNLSA-N. The full InChI is InChI=1S/C15H19NO7S/c1-9-7-12(15(18)22-9)23-14(17)10-5-6-11(21-4)13(8-10)24(19,20)16(2)3/h5-6,8-9,12H,7H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
[(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 357.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 39964299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).