3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide

C27H32N4O3S — CID 157315283

IUPAC3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCCN3CCCCC3)c2)c1
InChIInChI=1S/C27H32N4O3S/c32-27(30-25-11-14-28-15-12-25)24-9-4-7-22(20-24)19-23-8-5-10-26(21-23)35(33,34)29-13-6-18-31-16-2-1-3-17-31/h4-5,7-12,14-15,20-21,29H,1-3,6,13,16-19H2,(H,28,30,32)
InChIKeyBDNDDIZIQSWZNE-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.08
Rot. Bonds10

About 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide

3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 157315283) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
PubChem CID157315283
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCCN3CCCCC3)c2)c1
InChIInChI=1S/C27H32N4O3S/c32-27(30-25-11-14-28-15-12-25)24-9-4-7-22(20-24)19-23-8-5-10-26(21-23)35(33,34)29-13-6-18-31-16-2-1-3-17-31/h4-5,7-12,14-15,20-21,29H,1-3,6,13,16-19H2,(H,28,30,32)
InChIKeyBDNDDIZIQSWZNE-UHFFFAOYSA-N
XLogP4.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
CID 147331451
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-(pyridin-4-ylcarbamoyl)phenyl]methyl]benzamide
CID 158740294
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
2-(diethylamino)ethyl 3-[[4-(3-pyrrolidin-1-ylpropylsulfamoyl)benzoyl]amino]benzoate
CID 167787178
3-[[3-[3-(diethylamino)propylsulfamoyl]phenyl]methyl]-N-methyl-N-pyridin-4-ylbenzamide
CID 159031511
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide (CID 157315283) is 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCCN3CCCCC3)c2)c1.
What is the InChIKey of 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is BDNDDIZIQSWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c32-27(30-25-11-14-28-15-12-25)24-9-4-7-22(20-24)19-23-8-5-10-26(21-23)35(33,34)29-13-6-18-31-16-2-1-3-17-31/h4-5,7-12,14-15,20-21,29H,1-3,6,13,16-19H2,(H,28,30,32).
What are the key properties of 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 492.65 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 157315283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).