4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid

C16H23ClN2O4S — CID 4166566

IUPAC4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-3-19(4-2)24(22,23)15-10-12(16(20)21)14(11-13(15)17)18-8-6-5-7-9-18/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyYDJBBLMJLZOVPW-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid

4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid (PubChem CID 4166566) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
PubChem CID4166566
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-3-19(4-2)24(22,23)15-10-12(16(20)21)14(11-13(15)17)18-8-6-5-7-9-18/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyYDJBBLMJLZOVPW-UHFFFAOYSA-N
XLogP3.06
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid
CID 50739456
2,4-dichloro-5-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 78970275
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
CID 20506124
2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid
CID 21430471
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 4218611
2,4-dichloro-5-(diethylsulfamoyl)-N-(2-methylbutan-2-yl)benzamide
CID 4776215
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid (CID 4166566) is 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(N2CCCCC2)cc1Cl.
What is the InChIKey of 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The InChIKey is YDJBBLMJLZOVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-3-19(4-2)24(22,23)15-10-12(16(20)21)14(11-13(15)17)18-8-6-5-7-9-18/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid has a molecular weight of 374.89 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 4166566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).