2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

C18H24N4O2S — CID 113025891

IUPAC2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(C)c1
InChIInChI=1S/C18H24N4O2S/c1-14-4-6-17(15(2)12-14)25(23,24)20-18-7-5-16(13-19-18)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyLBINDLFVFJPJDH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.25
Rot. Bonds4

About 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113025891) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113025891
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(C)c1
InChIInChI=1S/C18H24N4O2S/c1-14-4-6-17(15(2)12-14)25(23,24)20-18-7-5-16(13-19-18)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyLBINDLFVFJPJDH-UHFFFAOYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026115
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113025891) is 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is LBINDLFVFJPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-4-6-17(15(2)12-14)25(23,24)20-18-7-5-16(13-19-18)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113025891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).