N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide

C17H23N5O2S — CID 113035788

IUPACN-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
SMILESCN1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)nc3)cc2)CC1
InChIInChI=1S/C17H23N5O2S/c1-21-9-11-22(12-10-21)16-6-3-14(4-7-16)19-15-5-8-17(18-13-15)20-25(2,23)24/h3-8,13,19H,9-12H2,1-2H3,(H,18,20)
InChIKeyIXVACVCUEUOPBT-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.95
Rot. Bonds5

About N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide

N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide (PubChem CID 113035788) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
PubChem CID113035788
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
SMILESCN1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)nc3)cc2)CC1
InChIInChI=1S/C17H23N5O2S/c1-21-9-11-22(12-10-21)16-6-3-14(4-7-16)19-15-5-8-17(18-13-15)20-25(2,23)24/h3-8,13,19H,9-12H2,1-2H3,(H,18,20)
InChIKeyIXVACVCUEUOPBT-UHFFFAOYSA-N
XLogP1.95
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide (CID 113035788) is N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide is CN1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)nc3)cc2)CC1.
What is the InChIKey of N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide?
The InChIKey is IXVACVCUEUOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-21-9-11-22(12-10-21)16-6-3-14(4-7-16)19-15-5-8-17(18-13-15)20-25(2,23)24/h3-8,13,19H,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide?
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113035788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).