N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide

C14H12BrN3O2S — CID 106595530

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-10(2)14(9)18-21(19,20)13-4-3-5-17-12(13)8-16/h3-7,18H,1-2H3
InChIKeyATTJAHSFPNMHEE-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.13
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide

N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106595530) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106595530
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-10(2)14(9)18-21(19,20)13-4-3-5-17-12(13)8-16/h3-7,18H,1-2H3
InChIKeyATTJAHSFPNMHEE-UHFFFAOYSA-N
XLogP3.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106598332
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide (CID 106595530) is N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is ATTJAHSFPNMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-10(2)14(9)18-21(19,20)13-4-3-5-17-12(13)8-16/h3-7,18H,1-2H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide?
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106595530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).