4-chloro-3-(diethylsulfamoyl)benzoic acid

C11H14ClNO4S — CID 767898

IUPAC4-chloro-3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyOANXBFKRXPGEGI-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-3-(diethylsulfamoyl)benzoic acid

4-chloro-3-(diethylsulfamoyl)benzoic acid (PubChem CID 767898) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)benzoic acid
PubChem CID767898
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name4-chloro-3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyOANXBFKRXPGEGI-UHFFFAOYSA-N
XLogP2.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263286
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
N-butylbutan-1-amine;4-chloro-3-(dibutylsulfamoyl)benzoic acid
CID 158708751
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510708
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
4-chloro-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid
CID 43309827
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)benzoic acid (CID 767898) is 4-chloro-3-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)benzoic acid?
The InChIKey is OANXBFKRXPGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)benzoic acid?
4-chloro-3-(diethylsulfamoyl)benzoic acid has a molecular weight of 291.76 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 767898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).