decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate

C19H29Cl2NO4S — CID 59912480

IUPACdecyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
SMILESCCCCCCCCCCOC(=O)c1cc(S(=O)(=O)NCC)c(Cl)cc1Cl
InChIInChI=1S/C19H29Cl2NO4S/c1-3-5-6-7-8-9-10-11-12-26-19(23)15-13-18(17(21)14-16(15)20)27(24,25)22-4-2/h13-14,22H,3-12H2,1-2H3
InChIKeyFQOLIJBOGMKEKA-UHFFFAOYSA-N
MW438.42 g/mol
LogP5.59
Rot. Bonds13

About decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate

decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate (PubChem CID 59912480) has the molecular formula C19H29Cl2NO4S and a molecular weight of 438.42 g/mol. Its IUPAC name is decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Namedecyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
PubChem CID59912480
Molecular FormulaC19H29Cl2NO4S
Molecular Weight438.42 g/mol
Exact Mass437.12
IUPAC Namedecyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
SMILESCCCCCCCCCCOC(=O)c1cc(S(=O)(=O)NCC)c(Cl)cc1Cl
InChIInChI=1S/C19H29Cl2NO4S/c1-3-5-6-7-8-9-10-11-12-26-19(23)15-13-18(17(21)14-16(15)20)27(24,25)22-4-2/h13-14,22H,3-12H2,1-2H3
InChIKeyFQOLIJBOGMKEKA-UHFFFAOYSA-N
XLogP5.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexyl 2,4-dichloro-5-chlorosulfonylbenzoate
CID 65375280
hexyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
CID 65374897
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
hexadecyl 2,5-dichlorobenzoate
CID 100931505
[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 2599609
pentyl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65379672
2-propoxyethyl 2,4-dichloro-5-chlorosulfonylbenzoate
CID 65375892
heptyl 2,5-dichloropyridine-4-carboxylate
CID 114929183
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
heptyl 2-chlorosulfonylbenzoate
CID 87744508
2-amino-5-(butoxymethylsulfamoyl)-4-chlorobenzoic acid
CID 172788750
pentyl 2-chloro-5-sulfanylbenzoate
CID 107018636

Frequently Asked Questions

What is the IUPAC name of decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate?
The IUPAC name of decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate (CID 59912480) is decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate.
What is the SMILES notation for decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate?
The canonical SMILES for decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate is CCCCCCCCCCOC(=O)c1cc(S(=O)(=O)NCC)c(Cl)cc1Cl.
What is the InChIKey of decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate?
The InChIKey is FQOLIJBOGMKEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2NO4S/c1-3-5-6-7-8-9-10-11-12-26-19(23)15-13-18(17(21)14-16(15)20)27(24,25)22-4-2/h13-14,22H,3-12H2,1-2H3.
What are the key properties of decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate?
decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate has a molecular weight of 438.42 g/mol, XLogP of 5.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 59912480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).