N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C21H21N5O3S — CID 55616731

IUPACN-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N5O3S/c27-21(26-15-13-25(14-16-26)20-3-1-2-10-23-20)17-4-6-19(7-5-17)30(28,29)24-18-8-11-22-12-9-18/h1-12H,13-16H2,(H,22,24)
InChIKeyJTEYVPFTQRLGQW-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.24
Rot. Bonds5

About N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 55616731) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID55616731
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N5O3S/c27-21(26-15-13-25(14-16-26)20-3-1-2-10-23-20)17-4-6-19(7-5-17)30(28,29)24-18-8-11-22-12-9-18/h1-12H,13-16H2,(H,22,24)
InChIKeyJTEYVPFTQRLGQW-UHFFFAOYSA-N
XLogP2.24
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 119349414
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55349862
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 55616731) is N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is JTEYVPFTQRLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c27-21(26-15-13-25(14-16-26)20-3-1-2-10-23-20)17-4-6-19(7-5-17)30(28,29)24-18-8-11-22-12-9-18/h1-12H,13-16H2,(H,22,24).
What are the key properties of N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).