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

C21H23N5O2S — CID 91968264

IUPAC4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C21H23N5O2S/c1-17-7-9-20(10-8-17)29(27,28)24-18-15-22-21(23-16-18)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16,24H,11-14H2,1H3
InChIKeyIUDBHIFRHQTUMO-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.91
Rot. Bonds5

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

4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 91968264) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID91968264
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C21H23N5O2S/c1-17-7-9-20(10-8-17)29(27,28)24-18-15-22-21(23-16-18)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16,24H,11-14H2,1H3
InChIKeyIUDBHIFRHQTUMO-UHFFFAOYSA-N
XLogP2.91
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122298773
2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
CID 122299471
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 91968264) is 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is IUDBHIFRHQTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-17-7-9-20(10-8-17)29(27,28)24-18-15-22-21(23-16-18)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16,24H,11-14H2,1H3.
What are the key properties of 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 409.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 91968264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).