4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide

C27H28N2O2S — CID 54481607

IUPAC4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O2S/c28-32(30,31)26-15-13-22(14-16-26)8-7-19-29-20-17-25(18-21-29)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16H,17-21H2,(H2,28,30,31)
InChIKeyXPJDZRPECPQIAI-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.95
Rot. Bonds6

About 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide

4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide (PubChem CID 54481607) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide
PubChem CID54481607
Molecular FormulaC27H28N2O2S
Molecular Weight444.60 g/mol
Exact Mass444.19
IUPAC Name4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O2S/c28-32(30,31)26-15-13-22(14-16-26)8-7-19-29-20-17-25(18-21-29)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16H,17-21H2,(H2,28,30,31)
InChIKeyXPJDZRPECPQIAI-UHFFFAOYSA-N
XLogP4.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]prop-1-enyl]benzenesulfonamide;hydrochloride
CID 11386619
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine
CID 91748313
1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-[4-[4-[2-hydroxy-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propoxy]phenyl]sulfonylphenoxy]-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol;tetrahydrochloride
CID 171138501
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2422630
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide (CID 54481607) is 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C=CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide?
The InChIKey is XPJDZRPECPQIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/c28-32(30,31)26-15-13-22(14-16-26)8-7-19-29-20-17-25(18-21-29)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16H,17-21H2,(H2,28,30,31).
What are the key properties of 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide?
4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide has a molecular weight of 444.60 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzhydrylidenepiperidin-1-yl)prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 54481607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).