4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide

C20H22N6O2S — CID 121112921

IUPAC4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-16-5-7-18(8-6-16)29(27,28)24-17-14-22-20(23-15-17)26-12-10-25(11-13-26)19-4-2-3-9-21-19/h2-9,14-15,24H,10-13H2,1H3
InChIKeyZYCKQUPWFSLBFX-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.31
Rot. Bonds5

About 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 121112921) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID121112921
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-16-5-7-18(8-6-16)29(27,28)24-17-14-22-20(23-15-17)26-12-10-25(11-13-26)19-4-2-3-9-21-19/h2-9,14-15,24H,10-13H2,1H3
InChIKeyZYCKQUPWFSLBFX-UHFFFAOYSA-N
XLogP2.31
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
5-fluoro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 71790232
4-ethoxy-3-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300169
1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122300186
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55616731

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 121112921) is 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is ZYCKQUPWFSLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-16-5-7-18(8-6-16)29(27,28)24-17-14-22-20(23-15-17)26-12-10-25(11-13-26)19-4-2-3-9-21-19/h2-9,14-15,24H,10-13H2,1H3.
What are the key properties of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 121112921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).