N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C24H25N5O3S — CID 4636977

IUPACN-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H25N5O3S/c1-2-14-29(21-9-4-3-5-10-21)33(31,32)22-11-6-8-20(19-22)23(30)27-15-17-28(18-16-27)24-25-12-7-13-26-24/h2-13,19H,1,14-18H2
InChIKeyAZWALPQKSSFJLJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.82
Rot. Bonds7

About N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 4636977) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID4636977
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H25N5O3S/c1-2-14-29(21-9-4-3-5-10-21)33(31,32)22-11-6-8-20(19-22)23(30)27-15-17-28(18-16-27)24-25-12-7-13-26-24/h2-13,19H,1,14-18H2
InChIKeyAZWALPQKSSFJLJ-UHFFFAOYSA-N
XLogP2.82
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[4-[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperazin-1-yl]acetamide
CID 43020036
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 17482321
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 24818212
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
(4-benzoylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 3263241
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 4636977) is N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is AZWALPQKSSFJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-2-14-29(21-9-4-3-5-10-21)33(31,32)22-11-6-8-20(19-22)23(30)27-15-17-28(18-16-27)24-25-12-7-13-26-24/h2-13,19H,1,14-18H2.
What are the key properties of N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4636977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).