(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate

C17H19NO4S — CID 7844428

IUPAC(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-6-4-5-7-15(13)12-22-17(19)14-8-10-16(11-9-14)23(20,21)18(2)3/h4-11H,12H2,1-3H3
InChIKeyDKCCYDHVZFBCIG-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.60
Rot. Bonds5

About (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate

(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 7844428) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID7844428
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-6-4-5-7-15(13)12-22-17(19)14-8-10-16(11-9-14)23(20,21)18(2)3/h4-11H,12H2,1-3H3
InChIKeyDKCCYDHVZFBCIG-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

(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767619
(2,6-dimethylphenyl) 4-(dimethylsulfamoyl)benzoate
CID 4310062
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2448637
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate (CID 7844428) is (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate is Cc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is DKCCYDHVZFBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-6-4-5-7-15(13)12-22-17(19)14-8-10-16(11-9-14)23(20,21)18(2)3/h4-11H,12H2,1-3H3.
What are the key properties of (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate 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 (2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7844428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).