4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C25H21N3O4S — CID 70661029

IUPAC4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C25H21N3O4S/c29-23-11-7-19(8-12-23)20-9-13-24(14-10-20)33(31,32)27-16-18-3-5-21(6-4-18)25(30)28-22-2-1-15-26-17-22/h1-15,17,27,29H,16H2,(H,28,30)
InChIKeyGOAABUAJJYTYHY-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.18
Rot. Bonds7

About 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 70661029) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID70661029
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC Name4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C25H21N3O4S/c29-23-11-7-19(8-12-23)20-9-13-24(14-10-20)33(31,32)27-16-18-3-5-21(6-4-18)25(30)28-22-2-1-15-26-17-22/h1-15,17,27,29H,16H2,(H,28,30)
InChIKeyGOAABUAJJYTYHY-UHFFFAOYSA-N
XLogP4.18
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[4-(pyridin-3-ylcarbamoyl)phenyl]methylsulfamoyl]benzoic acid
CID 118158424
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-[[[4-[3-(2-aminoethoxy)propyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70659860
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-[[[3-(prop-2-enoylamino)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912860
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50915038
4-[[[4-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 67641494
4-[[[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70655448
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 70661029) is 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is GOAABUAJJYTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c29-23-11-7-19(8-12-23)20-9-13-24(14-10-20)33(31,32)27-16-18-3-5-21(6-4-18)25(30)28-22-2-1-15-26-17-22/h1-15,17,27,29H,16H2,(H,28,30).
What are the key properties of 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 459.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 70661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).