N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride

C20H19Cl3FN5O2S — CID 134328946

IUPACN-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(Cl)c(-c2cccc(F)c2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C20H18Cl2FN5O2S.ClH/c21-14-7-8-16(25-20(14)13-3-1-4-15(23)19(13)22)27-31(29,30)18-6-2-5-17(26-18)28-11-9-24-10-12-28;/h1-8,24H,9-12H2,(H,25,27);1H
InChIKeyJOPYIYUHGFPACS-UHFFFAOYSA-N
MW518.83 g/mol
LogP4.22
Rot. Bonds5

About N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride

N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (PubChem CID 134328946) has the molecular formula C20H19Cl3FN5O2S and a molecular weight of 518.83 g/mol. Its IUPAC name is N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
PubChem CID134328946
Molecular FormulaC20H19Cl3FN5O2S
Molecular Weight518.83 g/mol
Exact Mass517.03
IUPAC NameN-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(Cl)c(-c2cccc(F)c2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C20H18Cl2FN5O2S.ClH/c21-14-7-8-16(25-20(14)13-3-1-4-15(23)19(13)22)27-31(29,30)18-6-2-5-17(26-18)28-11-9-24-10-12-28;/h1-8,24H,9-12H2,(H,25,27);1H
InChIKeyJOPYIYUHGFPACS-UHFFFAOYSA-N
XLogP4.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.83
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306979
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306679
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(3-oxopiperazin-1-yl)pyridine-2-sulfonamide
CID 134306410
1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 155046808
tert-butyl 4-[6-[[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306399
(3R)-1-[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134328854
6-(4-tert-butylpiperazin-1-yl)-N-[6-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306552
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 134344518
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
6-amino-N-[5-chloro-6-(2-cyclopropylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306401
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide
CID 134306956
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344533

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The IUPAC name of N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (CID 134328946) is N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(Cl)c(-c2cccc(F)c2Cl)n1)c1cccc(N2CCNCC2)n1.
What is the InChIKey of N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The InChIKey is JOPYIYUHGFPACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN5O2S.ClH/c21-14-7-8-16(25-20(14)13-3-1-4-15(23)19(13)22)27-31(29,30)18-6-2-5-17(26-18)28-11-9-24-10-12-28;/h1-8,24H,9-12H2,(H,25,27);1H.
What are the key properties of N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride has a molecular weight of 518.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134328946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).