4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

C19H25ClN4O2S — CID 1214515

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-3-24(4-2)27(25,26)19-15-21-9-8-18(19)23-12-10-22(11-13-23)17-7-5-6-16(20)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyFNFJERHAIGOPDW-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.09
Rot. Bonds6

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 1214515) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID1214515
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-3-24(4-2)27(25,26)19-15-21-9-8-18(19)23-12-10-22(11-13-23)17-7-5-6-16(20)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyFNFJERHAIGOPDW-UHFFFAOYSA-N
XLogP3.09
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (CID 1214515) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is FNFJERHAIGOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-3-24(4-2)27(25,26)19-15-21-9-8-18(19)23-12-10-22(11-13-23)17-7-5-6-16(20)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 408.96 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 1214515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).