2-chloro-5-(diethylsulfamoyl)benzoate

C11H13ClNO4S- — CID 4206054

IUPAC2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1
InChIKeyIWLIXVSPGIDTAZ-UHFFFAOYSA-M
MW290.75 g/mol
LogP0.73
Rot. Bonds5

About 2-chloro-5-(diethylsulfamoyl)benzoate

2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 4206054) has the molecular formula C11H13ClNO4S- and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID4206054
Molecular FormulaC11H13ClNO4S-
Molecular Weight290.75 g/mol
Exact Mass290.03
IUPAC Name2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1
InChIKeyIWLIXVSPGIDTAZ-UHFFFAOYSA-M
XLogP0.73
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
CID 4577559
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
(4-chlorophenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 1330481
phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)benzoate (CID 4206054) is 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is IWLIXVSPGIDTAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-chloro-5-(diethylsulfamoyl)benzoate?
2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 290.75 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 4206054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).