methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate

C15H23NO4S — CID 103833460

IUPACmethyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)10-16(12(3)4)21(18,19)14-9-7-6-8-13(14)15(17)20-5/h6-9,11-12H,10H2,1-5H3
InChIKeyIQTDZGCDNOCCTO-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.53
Rot. Bonds6

About methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate

methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 103833460) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID103833460
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Namemethyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)10-16(12(3)4)21(18,19)14-9-7-6-8-13(14)15(17)20-5/h6-9,11-12H,10H2,1-5H3
InChIKeyIQTDZGCDNOCCTO-UHFFFAOYSA-N
XLogP2.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
methyl 2-(aminomethylsulfonyl)benzoate
CID 71067036
methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
methyl 2-[tert-butyl(prop-2-enyl)sulfamoyl]benzoate
CID 102920573
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate (CID 103833460) is methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is IQTDZGCDNOCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)10-16(12(3)4)21(18,19)14-9-7-6-8-13(14)15(17)20-5/h6-9,11-12H,10H2,1-5H3.
What are the key properties of methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate?
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 313.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 103833460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).