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

C21H23Cl2N5O2S — CID 134306979

IUPACN-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCNCC3)n2)ccc1Cl.Cl
InChIInChI=1S/C21H22ClN5O2S.ClH/c1-15-5-2-3-6-16(15)21-17(22)9-10-18(24-21)26-30(28,29)20-8-4-7-19(25-20)27-13-11-23-12-14-27;/h2-10,23H,11-14H2,1H3,(H,24,26);1H
InChIKeyYLPMUWLJBFZAIP-UHFFFAOYSA-N
MW480.42 g/mol
LogP3.74
Rot. Bonds5

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

N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (PubChem CID 134306979) has the molecular formula C21H23Cl2N5O2S and a molecular weight of 480.42 g/mol. Its IUPAC name is N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
PubChem CID134306979
Molecular FormulaC21H23Cl2N5O2S
Molecular Weight480.42 g/mol
Exact Mass479.09
IUPAC NameN-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCNCC3)n2)ccc1Cl.Cl
InChIInChI=1S/C21H22ClN5O2S.ClH/c1-15-5-2-3-6-16(15)21-17(22)9-10-18(24-21)26-30(28,29)20-8-4-7-19(25-20)27-13-11-23-12-14-27;/h2-10,23H,11-14H2,1H3,(H,24,26);1H
InChIKeyYLPMUWLJBFZAIP-UHFFFAOYSA-N
XLogP3.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134328946
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306679
(3R)-1-[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134328854
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(3-oxopiperazin-1-yl)pyridine-2-sulfonamide
CID 134306410
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
2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 175167378
tert-butyl 4-[6-[[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306399
tert-butyl 4-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306526
6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134308318
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344533
1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 155046808

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The IUPAC name of N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (CID 134306979) is N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCNCC3)n2)ccc1Cl.Cl.
What is the InChIKey of N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The InChIKey is YLPMUWLJBFZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2S.ClH/c1-15-5-2-3-6-16(15)21-17(22)9-10-18(24-21)26-30(28,29)20-8-4-7-19(25-20)27-13-11-23-12-14-27;/h2-10,23H,11-14H2,1H3,(H,24,26);1H.
What are the key properties of N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride has a molecular weight of 480.42 g/mol, XLogP of 3.74, 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-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134306979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).