6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide

C20H26N4O3S — CID 4878483

IUPAC6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C20H26N4O3S/c1-3-24(4-2)28(26,27)18-10-11-19(21-16-18)22-12-14-23(15-13-22)20(25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyNURDHBGMDJWLGW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.07
Rot. Bonds6

About 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide

6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4878483) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
PubChem CID4878483
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C20H26N4O3S/c1-3-24(4-2)28(26,27)18-10-11-19(21-16-18)22-12-14-23(15-13-22)20(25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyNURDHBGMDJWLGW-UHFFFAOYSA-N
XLogP2.07
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 122279277
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide (CID 4878483) is 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is NURDHBGMDJWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-24(4-2)28(26,27)18-10-11-19(21-16-18)22-12-14-23(15-13-22)20(25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide?
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4878483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).