methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate

C17H19NO4S — CID 51335463

IUPACmethyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19NO4S/c1-12-7-4-5-10-16(12)13(2)18-23(20,21)15-9-6-8-14(11-15)17(19)22-3/h4-11,13,18H,1-3H3
InChIKeyVWDSYJORJHLGIA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.82
Rot. Bonds5

About methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate

methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate (PubChem CID 51335463) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
PubChem CID51335463
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19NO4S/c1-12-7-4-5-10-16(12)13(2)18-23(20,21)15-9-6-8-14(11-15)17(19)22-3/h4-11,13,18H,1-3H3
InChIKeyVWDSYJORJHLGIA-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
methyl 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]benzoate
CID 51335512

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate (CID 51335463) is methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1.
What is the InChIKey of methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate?
The InChIKey is VWDSYJORJHLGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-7-4-5-10-16(12)13(2)18-23(20,21)15-9-6-8-14(11-15)17(19)22-3/h4-11,13,18H,1-3H3.
What are the key properties of methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate?
methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate has a molecular weight of 333.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 51335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).