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

C21H20Cl2F3N5O2S — CID 134306679

IUPACN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C21H19ClF3N5O2S.ClH/c22-16-5-2-1-4-14(16)20-15(21(23,24)25)8-9-17(27-20)29-33(31,32)19-7-3-6-18(28-19)30-12-10-26-11-13-30;/h1-9,26H,10-13H2,(H,27,29);1H
InChIKeyCFSNAGWOJMBZPS-UHFFFAOYSA-N
MW534.39 g/mol
LogP4.45
Rot. Bonds5

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

N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (PubChem CID 134306679) has the molecular formula C21H20Cl2F3N5O2S and a molecular weight of 534.39 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
PubChem CID134306679
Molecular FormulaC21H20Cl2F3N5O2S
Molecular Weight534.39 g/mol
Exact Mass533.07
IUPAC NameN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C21H19ClF3N5O2S.ClH/c22-16-5-2-1-4-14(16)20-15(21(23,24)25)8-9-17(27-20)29-33(31,32)19-7-3-6-18(28-19)30-12-10-26-11-13-30;/h1-9,26H,10-13H2,(H,27,29);1H
InChIKeyCFSNAGWOJMBZPS-UHFFFAOYSA-N
XLogP4.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306979
N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134328946
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
6-(4-tert-butylpiperazin-1-yl)-N-[6-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306552
tert-butyl 4-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306526
2-[1-[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidin-4-yl]acetic acid
CID 155046892
2-[(3S)-3-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 154674700
ethyl 2-methyl-2-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-4-yl]propanoate
CID 154674773
6-(7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134328863
6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344472
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306615

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The IUPAC name of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride (CID 134306679) is N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2Cl)n1)c1cccc(N2CCNCC2)n1.
What is the InChIKey of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
The InChIKey is CFSNAGWOJMBZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O2S.ClH/c22-16-5-2-1-4-14(16)20-15(21(23,24)25)8-9-17(27-20)29-33(31,32)19-7-3-6-18(28-19)30-12-10-26-11-13-30;/h1-9,26H,10-13H2,(H,27,29);1H.
What are the key properties of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride?
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride has a molecular weight of 534.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134306679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).