N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C21H28N6O3S — CID 46333257

IUPACN-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1N1CCNCC1
InChIInChI=1S/C21H28N6O3S/c1-31(29,30)24-18-16-17(5-6-19(18)25-10-8-22-9-11-25)21(28)27-14-12-26(13-15-27)20-4-2-3-7-23-20/h2-7,16,22,24H,8-15H2,1H3
InChIKeySSHYJJIZWPAFSB-UHFFFAOYSA-N
MW444.56 g/mol
LogP0.83
Rot. Bonds5

About N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 46333257) has the molecular formula C21H28N6O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID46333257
Molecular FormulaC21H28N6O3S
Molecular Weight444.56 g/mol
Exact Mass444.19
IUPAC NameN-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1N1CCNCC1
InChIInChI=1S/C21H28N6O3S/c1-31(29,30)24-18-16-17(5-6-19(18)25-10-8-22-9-11-25)21(28)27-14-12-26(13-15-27)20-4-2-3-7-23-20/h2-7,16,22,24H,8-15H2,1H3
InChIKeySSHYJJIZWPAFSB-UHFFFAOYSA-N
XLogP0.83
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-piperazin-1-yl-5-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]methanesulfonamide
CID 46333283
2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 50788396
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
3-[(3-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291899
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
3-[(2,5-dimethylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146054093
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556

Frequently Asked Questions

What is the IUPAC name of N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 46333257) is N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1N1CCNCC1.
What is the InChIKey of N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is SSHYJJIZWPAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3S/c1-31(29,30)24-18-16-17(5-6-19(18)25-10-8-22-9-11-25)21(28)27-14-12-26(13-15-27)20-4-2-3-7-23-20/h2-7,16,22,24H,8-15H2,1H3.
What are the key properties of N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 46333257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).