2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide

C18H20N4O3S — CID 30756070

IUPAC2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N4O3S/c19-17(23)16-7-4-9-20-18(16)21-10-12-22(13-11-21)26(24,25)14-8-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H2,19,23)/b14-8+
InChIKeyGHIVCJOYXDJXRJ-RIYZIHGNSA-N
MW372.45 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 30756070) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID30756070
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N4O3S/c19-17(23)16-7-4-9-20-18(16)21-10-12-22(13-11-21)26(24,25)14-8-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H2,19,23)/b14-8+
InChIKeyGHIVCJOYXDJXRJ-RIYZIHGNSA-N
XLogP1.30
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
CID 91409956
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 36723813
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36551467
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 38543627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide (CID 30756070) is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is GHIVCJOYXDJXRJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-17(23)16-7-4-9-20-18(16)21-10-12-22(13-11-21)26(24,25)14-8-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H2,19,23)/b14-8+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 30756070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).