N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

C19H22N4O3S — CID 55915923

IUPACN-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-9-21-19(24)16-6-5-7-17(15-16)27(25,26)23-13-11-22(12-14-23)18-8-3-4-10-20-18/h2-8,10,15H,1,9,11-14H2,(H,21,24)
InChIKeyNIZYUTNPBBKUSY-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.51
Rot. Bonds6

About N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 55915923) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID55915923
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-9-21-19(24)16-6-5-7-17(15-16)27(25,26)23-13-11-22(12-14-23)18-8-3-4-10-20-18/h2-8,10,15H,1,9,11-14H2,(H,21,24)
InChIKeyNIZYUTNPBBKUSY-UHFFFAOYSA-N
XLogP1.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 51121166
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-(4-benzyl-3,3-dimethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 86892603
3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 55907476
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-N-prop-2-enylbenzamide
CID 55871159

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 55915923) is N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is NIZYUTNPBBKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-9-21-19(24)16-6-5-7-17(15-16)27(25,26)23-13-11-22(12-14-23)18-8-3-4-10-20-18/h2-8,10,15H,1,9,11-14H2,(H,21,24).
What are the key properties of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 386.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55915923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).