[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate

C19H24N2O6S2 — CID 42986561

IUPAC[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O6S2/c1-14-9-10-17(29(25,26)21(4)5)12-18(14)19(22)27-13-15-7-6-8-16(11-15)28(23,24)20(2)3/h6-12H,13H2,1-5H3
InChIKeyKKEWCYOLUGQTPT-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.85
Rot. Bonds7

About [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate

[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate (PubChem CID 42986561) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
PubChem CID42986561
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O6S2/c1-14-9-10-17(29(25,26)21(4)5)12-18(14)19(22)27-13-15-7-6-8-16(11-15)28(23,24)20(2)3/h6-12H,13H2,1-5H3
InChIKeyKKEWCYOLUGQTPT-UHFFFAOYSA-N
XLogP1.85
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878758
(3-chlorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 16518238
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368
[3-(dimethylsulfamoyl)phenyl]methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 4834337
(3-cyanophenyl)methyl 3-(dimethylsulfamoyl)benzoate
CID 7960623
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329
[3-(dimethylsulfamoyl)phenyl]methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 55320815
(3-carbamoylphenyl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 55634329
(4-methylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 2626484
(3-cyanophenyl)methyl 2,5-dimethylbenzoate
CID 8534932
[3-(dimethylsulfamoyl)phenyl]methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065231
(3-methoxycarbonylphenyl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 31878076

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate (CID 42986561) is [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate?
The InChIKey is KKEWCYOLUGQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-14-9-10-17(29(25,26)21(4)5)12-18(14)19(22)27-13-15-7-6-8-16(11-15)28(23,24)20(2)3/h6-12H,13H2,1-5H3.
What are the key properties of [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate?
[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate has a molecular weight of 440.54 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 42986561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).