N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C21H19ClF2N4O2S — CID 86764546

IUPACN-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H19ClF2N4O2S/c22-18-13-16(26-31(29,30)20-7-6-15(23)12-19(20)24)14-25-21(18)28-10-8-27(9-11-28)17-4-2-1-3-5-17/h1-7,12-14,26H,8-11H2
InChIKeyZCPRXYHRLSEYMY-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.14
Rot. Bonds5

About N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 86764546) has the molecular formula C21H19ClF2N4O2S and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID86764546
Molecular FormulaC21H19ClF2N4O2S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC NameN-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H19ClF2N4O2S/c22-18-13-16(26-31(29,30)20-7-6-15(23)12-19(20)24)14-25-21(18)28-10-8-27(9-11-28)17-4-2-1-3-5-17/h1-7,12-14,26H,8-11H2
InChIKeyZCPRXYHRLSEYMY-UHFFFAOYSA-N
XLogP4.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-6-[3-(4-methylpiperazin-1-yl)phenoxy]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66884965
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454
N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide
CID 73352278
2-(azocan-1-yl)-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054712
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53024849
2-(azocan-1-yl)-5-[(2,5-difluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054714
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
5-fluoro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 71790232
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 86764546) is N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ZCPRXYHRLSEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2S/c22-18-13-16(26-31(29,30)20-7-6-15(23)12-19(20)24)14-25-21(18)28-10-8-27(9-11-28)17-4-2-1-3-5-17/h1-7,12-14,26H,8-11H2.
What are the key properties of N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 464.93 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 86764546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).