N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

C26H25N5O3S — CID 5109873

IUPACN-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N5O3S/c32-26(21-9-15-24(16-10-21)35(33,34)30-17-5-2-6-18-30)28-22-11-13-23(14-12-22)31-25(19-27-29-31)20-7-3-1-4-8-20/h1,3-4,7-16,19H,2,5-6,17-18H2,(H,28,32)
InChIKeyVSMMKGSYDDMRQA-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.36
Rot. Bonds6

About N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 5109873) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID5109873
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N5O3S/c32-26(21-9-15-24(16-10-21)35(33,34)30-17-5-2-6-18-30)28-22-11-13-23(14-12-22)31-25(19-27-29-31)20-7-3-1-4-8-20/h1,3-4,7-16,19H,2,5-6,17-18H2,(H,28,32)
InChIKeyVSMMKGSYDDMRQA-UHFFFAOYSA-N
XLogP4.36
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methylbenzenesulfonamido)methyl]-N-(pyridin-3-yl)benzamide
CID 50914751
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
N-[2-(4-phenyltriazol-1-yl)phenyl]benzamide
CID 145976004
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
CID 168274750
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-hydroxy-3-phenyl-2-[[4-[1-(4-phenylphenyl)triazol-4-yl]phenyl]sulfonylamino]propanamide
CID 168281663
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 2520240

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (CID 5109873) is N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VSMMKGSYDDMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c32-26(21-9-15-24(16-10-21)35(33,34)30-17-5-2-6-18-30)28-22-11-13-23(14-12-22)31-25(19-27-29-31)20-7-3-1-4-8-20/h1,3-4,7-16,19H,2,5-6,17-18H2,(H,28,32).
What are the key properties of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 487.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 5109873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).