N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide

C21H21N5O3S — CID 155169604

IUPACN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C21H21N5O3S/c27-20(17-5-2-1-3-6-17)24-18-7-9-19(10-8-18)30(28,29)26-15-13-25(14-16-26)21-22-11-4-12-23-21/h1-12H,13-16H2,(H,24,27)
InChIKeyBLIQLBXKGTVKBA-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.24
Rot. Bonds5

About N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide

N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 155169604) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID155169604
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C21H21N5O3S/c27-20(17-5-2-1-3-6-17)24-18-7-9-19(10-8-18)30(28,29)26-15-13-25(14-16-26)21-22-11-4-12-23-21/h1-12H,13-16H2,(H,24,27)
InChIKeyBLIQLBXKGTVKBA-UHFFFAOYSA-N
XLogP2.24
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 163888268
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylaniline
CID 22688881
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 155169604) is N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is BLIQLBXKGTVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c27-20(17-5-2-1-3-6-17)24-18-7-9-19(10-8-18)30(28,29)26-15-13-25(14-16-26)21-22-11-4-12-23-21/h1-12H,13-16H2,(H,24,27).
What are the key properties of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 423.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 155169604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).