6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

C16H17ClIN3O3S — CID 163438768

IUPAC6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2cc(I)c(C(C)(C)C)nc2Cl)n1
InChIInChI=1S/C16H17ClIN3O3S/c1-9-6-5-7-12(19-9)25(23,24)21-15(22)10-8-11(18)13(16(2,3)4)20-14(10)17/h5-8H,1-4H3,(H,21,22)
InChIKeyAWTBYPKNZNQDRY-UHFFFAOYSA-N
MW493.75 g/mol
LogP3.46
Rot. Bonds3

About 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 163438768) has the molecular formula C16H17ClIN3O3S and a molecular weight of 493.75 g/mol. Its IUPAC name is 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
PubChem CID163438768
Molecular FormulaC16H17ClIN3O3S
Molecular Weight493.75 g/mol
Exact Mass492.97
IUPAC Name6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2cc(I)c(C(C)(C)C)nc2Cl)n1
InChIInChI=1S/C16H17ClIN3O3S/c1-9-6-5-7-12(19-9)25(23,24)21-15(22)10-8-11(18)13(16(2,3)4)20-14(10)17/h5-8H,1-4H3,(H,21,22)
InChIKeyAWTBYPKNZNQDRY-UHFFFAOYSA-N
XLogP3.46
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-chloro-5-iodopyridine-3-carboxamide;6-tert-butyl-2-chloro-5-iodopyridine-3-carboxylic acid;molecular hydrogen
CID 159155513
6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 167644811
6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 158748509
2-(2,4-dimethylphenoxy)-6-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
CID 158064362
6-[2-fluoro-5-(hydroxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989933
6-(4-ethylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 167572090
6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide
CID 121252024
6-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 167559771
6-[4-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 138545704
6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 138545759
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 159069232
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide
CID 158337359

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 163438768) is 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2cc(I)c(C(C)(C)C)nc2Cl)n1.
What is the InChIKey of 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The InChIKey is AWTBYPKNZNQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClIN3O3S/c1-9-6-5-7-12(19-9)25(23,24)21-15(22)10-8-11(18)13(16(2,3)4)20-14(10)17/h5-8H,1-4H3,(H,21,22).
What are the key properties of 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?
6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 493.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-chloro-5-iodo-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 163438768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).