N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide

C21H29N3O3S — CID 997786

IUPACN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)c2ccncc2)c(C(C)C)c1
InChIInChI=1S/C21H29N3O3S/c1-13(2)17-11-18(14(3)4)20(19(12-17)15(5)6)28(26,27)24-23-21(25)16-7-9-22-10-8-16/h7-15,24H,1-6H3,(H,23,25)
InChIKeyLLWDLGHJQJBYPB-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.08
Rot. Bonds7

About N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide

N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide (PubChem CID 997786) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide
PubChem CID997786
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)c2ccncc2)c(C(C)C)c1
InChIInChI=1S/C21H29N3O3S/c1-13(2)17-11-18(14(3)4)20(19(12-17)15(5)6)28(26,27)24-23-21(25)16-7-9-22-10-8-16/h7-15,24H,1-6H3,(H,23,25)
InChIKeyLLWDLGHJQJBYPB-UHFFFAOYSA-N
XLogP4.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide?
The IUPAC name of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide (CID 997786) is N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide?
The canonical SMILES for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide is CC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)c2ccncc2)c(C(C)C)c1.
What is the InChIKey of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide?
The InChIKey is LLWDLGHJQJBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-13(2)17-11-18(14(3)4)20(19(12-17)15(5)6)28(26,27)24-23-21(25)16-7-9-22-10-8-16/h7-15,24H,1-6H3,(H,23,25).
What are the key properties of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide?
N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide has a molecular weight of 403.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide is sourced from PubChem (CID 997786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).