N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide

C23H26N4O2S — CID 55873999

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
SMILESCN1CCN(c2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccn2)CC1
InChIInChI=1S/C23H26N4O2S/c1-26-13-15-27(16-14-26)23-17-19(11-12-24-23)18-25-30(28,29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3
InChIKeyFYDWUMUMHMEAIT-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.98
Rot. Bonds6

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 55873999) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
PubChem CID55873999
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
SMILESCN1CCN(c2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccn2)CC1
InChIInChI=1S/C23H26N4O2S/c1-26-13-15-27(16-14-26)23-17-19(11-12-24-23)18-25-30(28,29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3
InChIKeyFYDWUMUMHMEAIT-UHFFFAOYSA-N
XLogP2.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913754
4-cyano-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 47065017
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-nitrobenzenesulfonamide
CID 55914387
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
4-[(2-morpholin-4-yl-4-pyridinyl)methylsulfamoyl]benzamide
CID 55598355
3-methyl-2-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 146025070
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 55873621
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide (CID 55873999) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide is CN1CCN(c2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide?
The InChIKey is FYDWUMUMHMEAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26-13-15-27(16-14-26)23-17-19(11-12-24-23)18-25-30(28,29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 55873999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).