4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide

C15H18N4O3S — CID 108862208

IUPAC4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide
SMILESN#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H18N4O3S/c16-10-12(15(20)19-8-2-1-3-9-19)11-18-13-4-6-14(7-5-13)23(17,21)22/h4-7,11,18H,1-3,8-9H2,(H2,17,21,22)/b12-11-
InChIKeyYUIRZIBCYBNSIH-QXMHVHEDSA-N
MW334.40 g/mol
LogP1.17
Rot. Bonds4

About 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide

4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide (PubChem CID 108862208) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide
PubChem CID108862208
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide
SMILESN#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H18N4O3S/c16-10-12(15(20)19-8-2-1-3-9-19)11-18-13-4-6-14(7-5-13)23(17,21)22/h4-7,11,18H,1-3,8-9H2,(H2,17,21,22)/b12-11-
InChIKeyYUIRZIBCYBNSIH-QXMHVHEDSA-N
XLogP1.17
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-cyano-3-(4-sulfamoylanilino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832133
ethyl 1-[(Z)-2-cyano-3-(4-sulfamoylanilino)prop-2-enoyl]piperidine-4-carboxylate
CID 108831022
(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862238
4-[[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]benzenesulfonic acid
CID 108840987
4-[[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 108834733
(Z)-3-[4-(4-methylpiperazin-1-yl)anilino]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862349
(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
CID 134103700
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841821
ethyl (Z)-2-cyano-3-(4-sulfamoylanilino)prop-2-enoate
CID 41386505
N-[4-[[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]phenyl]acetamide
CID 108840986
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
4-[[[(Z)-3-[4-(2-aminoethyl)piperazin-1-yl]-2-cyano-3-oxoprop-1-enyl]amino]methyl]benzenesulfonamide
CID 108863908

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide (CID 108862208) is 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide is N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide?
The InChIKey is YUIRZIBCYBNSIH-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-10-12(15(20)19-8-2-1-3-9-19)11-18-13-4-6-14(7-5-13)23(17,21)22/h4-7,11,18H,1-3,8-9H2,(H2,17,21,22)/b12-11-.
What are the key properties of 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide?
4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 108862208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).