N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide

C16H20N4O2S — CID 15735407

IUPACN-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-23(21,22)18-14-2-4-15(5-3-14)19-10-12-20(13-11-19)16-6-8-17-9-7-16/h2-9,18H,10-13H2,1H3
InChIKeyYQDJHAGRQULEOJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide

N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide (PubChem CID 15735407) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
PubChem CID15735407
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-23(21,22)18-14-2-4-15(5-3-14)19-10-12-20(13-11-19)16-6-8-17-9-7-16/h2-9,18H,10-13H2,1H3
InChIKeyYQDJHAGRQULEOJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
CID 3082653
3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
CID 143632110
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
N-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 42087275
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide (CID 15735407) is N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide?
The InChIKey is YQDJHAGRQULEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-23(21,22)18-14-2-4-15(5-3-14)19-10-12-20(13-11-19)16-6-8-17-9-7-16/h2-9,18H,10-13H2,1H3.
What are the key properties of N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide?
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 15735407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).