4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid

C15H23ClN2O4S — CID 50739456

IUPAC4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)c1cc(Cl)c(S(=O)(=O)N(CC)CC)cc1C(=O)O
InChIInChI=1S/C15H23ClN2O4S/c1-5-17(6-2)13-10-12(16)14(9-11(13)15(19)20)23(21,22)18(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyQUXVZDVUQYGMDZ-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.91
Rot. Bonds8

About 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid

4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid (PubChem CID 50739456) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid
PubChem CID50739456
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)c1cc(Cl)c(S(=O)(=O)N(CC)CC)cc1C(=O)O
InChIInChI=1S/C15H23ClN2O4S/c1-5-17(6-2)13-10-12(16)14(9-11(13)15(19)20)23(21,22)18(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyQUXVZDVUQYGMDZ-UHFFFAOYSA-N
XLogP2.91
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 4166566
2,4-dichloro-5-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 78970275
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
CID 20506124
2,4-dichloro-5-(diethylsulfamoyl)-N-(2-methylbutan-2-yl)benzamide
CID 4776215
2-[3-chloro-2-(diethylsulfamoyl)-7-methylacridin-9-yl]sulfanylacetic acid
CID 3754230
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
3-[3-chloro-4-(diethylsulfamoyl)phenyl]prop-2-enoic acid
CID 76907150
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
5-chloro-3-[ethyl(propyl)sulfamoyl]-2-fluorobenzoic acid
CID 43268489
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid (CID 50739456) is 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid is CCN(CC)c1cc(Cl)c(S(=O)(=O)N(CC)CC)cc1C(=O)O.
What is the InChIKey of 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid?
The InChIKey is QUXVZDVUQYGMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-5-17(6-2)13-10-12(16)14(9-11(13)15(19)20)23(21,22)18(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid?
4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid has a molecular weight of 362.88 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 50739456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).