methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate

C14H20ClN3O4S — CID 119966710

IUPACmethyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C14H20ClN3O4S/c1-22-14(19)12-3-2-11(15)10-13(12)23(20,21)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3
InChIKeyBRKVZYYRKCVDTF-UHFFFAOYSA-N
MW361.85 g/mol
LogP0.31
Rot. Bonds6

About methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate

methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate (PubChem CID 119966710) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate
PubChem CID119966710
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Namemethyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C14H20ClN3O4S/c1-22-14(19)12-3-2-11(15)10-13(12)23(20,21)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3
InChIKeyBRKVZYYRKCVDTF-UHFFFAOYSA-N
XLogP0.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methoxy-4-(2-piperazin-1-ylethylsulfamoyl)benzoate;dihydrochloride
CID 120707473
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
CID 119979722
methyl 4-chloro-2-(piperidin-4-ylsulfamoyl)benzoate
CID 119960838
methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
CID 119972795
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
methyl 4-methyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994439
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
CID 119994394
methyl 2-fluoro-6-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994378
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate (CID 119966710) is methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate is COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate?
The InChIKey is BRKVZYYRKCVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-22-14(19)12-3-2-11(15)10-13(12)23(20,21)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3.
What are the key properties of methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate?
methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate has a molecular weight of 361.85 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 119966710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).