4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

C15H16Cl2N4O2S — CID 73346474

IUPAC4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4O2S/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)14-3-4-19-10-15(14)24(18,22)23/h1-4,9-10H,5-8H2,(H2,18,22,23)
InChIKeyKERVCQQPIQCZTE-UHFFFAOYSA-N
MW387.29 g/mol
LogP2.36
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 73346474) has the molecular formula C15H16Cl2N4O2S and a molecular weight of 387.29 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID73346474
Molecular FormulaC15H16Cl2N4O2S
Molecular Weight387.29 g/mol
Exact Mass386.04
IUPAC Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4O2S/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)14-3-4-19-10-15(14)24(18,22)23/h1-4,9-10H,5-8H2,(H2,18,22,23)
InChIKeyKERVCQQPIQCZTE-UHFFFAOYSA-N
XLogP2.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 24180454
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
2,3-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444711
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
3-Pyridinesulfonamide, 4-((3,4-dichlorophenyl)amino)-
CID 902071
4-(3,4-Dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 71859095
4-[4-(2-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73351067
4-[4-(4-Chlorophenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 73352539
4-[4-(4-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73355562

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 73346474) is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is KERVCQQPIQCZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2S/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)14-3-4-19-10-15(14)24(18,22)23/h1-4,9-10H,5-8H2,(H2,18,22,23).
What are the key properties of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 387.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 73346474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).