N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide

C22H24N2O3S — CID 15149906

IUPACN-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-21(2,3)24-28(26,27)20-16-23-15-14-19(20)22(25,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,24-25H,1-3H3
InChIKeyPCYAALPHHIGKHG-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.44
Rot. Bonds5

About N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide

N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 15149906) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide
PubChem CID15149906
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-21(2,3)24-28(26,27)20-16-23-15-14-19(20)22(25,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,24-25H,1-3H3
InChIKeyPCYAALPHHIGKHG-UHFFFAOYSA-N
XLogP3.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide (CID 15149906) is N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is PCYAALPHHIGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-21(2,3)24-28(26,27)20-16-23-15-14-19(20)22(25,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,24-25H,1-3H3.
What are the key properties of N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide?
N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 15149906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).