ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate

C16H23N3O5S — CID 3308115

IUPACethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H23N3O5S/c1-4-24-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)25(22,23)17(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyDJNBFZJOCVZGBF-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.85
Rot. Bonds4

About ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate (PubChem CID 3308115) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
PubChem CID3308115
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Nameethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H23N3O5S/c1-4-24-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)25(22,23)17(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyDJNBFZJOCVZGBF-UHFFFAOYSA-N
XLogP0.85
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate (CID 3308115) is ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is DJNBFZJOCVZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-4-24-16(21)19-11-9-18(10-12-19)15(20)13-5-7-14(8-6-13)25(22,23)17(2)3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 3308115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).