1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine

C15H13Cl4N3O2S — CID 4665191

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C15H13Cl4N3O2S/c16-11-2-1-10(7-12(11)17)25(23,24)22-5-3-21(4-6-22)15-13(18)8-20-9-14(15)19/h1-2,7-9H,3-6H2
InChIKeyKWCDRCZWTIOZFF-UHFFFAOYSA-N
MW441.17 g/mol
LogP4.21
Rot. Bonds3

About 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine

1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine (PubChem CID 4665191) has the molecular formula C15H13Cl4N3O2S and a molecular weight of 441.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine
PubChem CID4665191
Molecular FormulaC15H13Cl4N3O2S
Molecular Weight441.17 g/mol
Exact Mass438.95
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C15H13Cl4N3O2S/c16-11-2-1-10(7-12(11)17)25(23,24)22-5-3-21(4-6-22)15-13(18)8-20-9-14(15)19/h1-2,7-9H,3-6H2
InChIKeyKWCDRCZWTIOZFF-UHFFFAOYSA-N
XLogP4.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-Trichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839390
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
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
4-(3,4-Dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 71859095
4-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73346474
4-[4-(4-Chlorophenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 73352539
N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2448244
3-Pyridinesulfonamide, 4-((2,3-dichlorophenyl)amino)-
CID 3040404
2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide
CID 164621640
1-(3,5-Dichloro-4-pyridinyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 2812126

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine (CID 4665191) is 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine?
The InChIKey is KWCDRCZWTIOZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N3O2S/c16-11-2-1-10(7-12(11)17)25(23,24)22-5-3-21(4-6-22)15-13(18)8-20-9-14(15)19/h1-2,7-9H,3-6H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine has a molecular weight of 441.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(3,5-dichloro-4-pyridinyl)piperazine is sourced from PubChem (CID 4665191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).