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

C21H19ClF3N5O2S — CID 134306380

IUPACN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C21H19ClF3N5O2S/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)
InChIKeyNIAVKJVRJGQKDC-UHFFFAOYSA-N
MW497.93 g/mol
LogP4.03
Rot. Bonds5

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

N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide (PubChem CID 134306380) has the molecular formula C21H19ClF3N5O2S and a molecular weight of 497.93 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide
PubChem CID134306380
Molecular FormulaC21H19ClF3N5O2S
Molecular Weight497.93 g/mol
Exact Mass497.09
IUPAC NameN-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2Cl)n1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C21H19ClF3N5O2S/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)
InChIKeyNIAVKJVRJGQKDC-UHFFFAOYSA-N
XLogP4.03
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide?
The IUPAC name of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide (CID 134306380) is N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide is 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?
The InChIKey is NIAVKJVRJGQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O2S/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).
What are the key properties of N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide?
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide has a molecular weight of 497.93 g/mol, XLogP of 4.03, 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 is sourced from PubChem (CID 134306380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).