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

C17H22N4O2S — CID 113025926

IUPAC2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C17H22N4O2S/c1-14-5-3-4-6-16(14)24(22,23)19-17-8-7-15(13-18-17)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3,(H,18,19)
InChIKeyZTCRLPIOHCWXKZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.94
Rot. Bonds4

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

2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113025926) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113025926
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C17H22N4O2S/c1-14-5-3-4-6-16(14)24(22,23)19-17-8-7-15(13-18-17)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3,(H,18,19)
InChIKeyZTCRLPIOHCWXKZ-UHFFFAOYSA-N
XLogP1.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025891
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026115
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026209
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113025926) is 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is ZTCRLPIOHCWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-5-3-4-6-16(14)24(22,23)19-17-8-7-15(13-18-17)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113025926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).