methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate

C17H19NO4S — CID 96566230

IUPACmethyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1C
InChIInChI=1S/C17H19NO4S/c1-13-9-10-15(11-16(13)17(19)22-3)23(20,21)18(2)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyRTBWHOOSOBLOPS-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.60
Rot. Bonds5

About methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate

methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate (PubChem CID 96566230) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
PubChem CID96566230
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1C
InChIInChI=1S/C17H19NO4S/c1-13-9-10-15(11-16(13)17(19)22-3)23(20,21)18(2)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyRTBWHOOSOBLOPS-UHFFFAOYSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
methyl 5-[bromo(phenyl)sulfamoyl]-2-methylbenzoate
CID 91135602
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
methyl 2-methyl-5-[phenyl(pyridin-3-yl)sulfamoyl]benzoate
CID 91296881
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 27695690
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448

Frequently Asked Questions

What is the IUPAC name of methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate (CID 96566230) is methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1C.
What is the InChIKey of methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is RTBWHOOSOBLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-9-10-15(11-16(13)17(19)22-3)23(20,21)18(2)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate?
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 333.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 96566230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).