5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide

C14H14BrClN2O2S — CID 61300253

IUPAC5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c(C)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-8-4-9(2)13(10(3)5-8)18-21(19,20)12-6-11(15)7-17-14(12)16/h4-7,18H,1-3H3
InChIKeyLVNNISAMYYUPFX-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.22
Rot. Bonds3

About 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide (PubChem CID 61300253) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
PubChem CID61300253
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c(C)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-8-4-9(2)13(10(3)5-8)18-21(19,20)12-6-11(15)7-17-14(12)16/h4-7,18H,1-3H3
InChIKeyLVNNISAMYYUPFX-UHFFFAOYSA-N
XLogP4.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
CID 61298510
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide (CID 61300253) is 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c(C)c1.
What is the InChIKey of 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is LVNNISAMYYUPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-8-4-9(2)13(10(3)5-8)18-21(19,20)12-6-11(15)7-17-14(12)16/h4-7,18H,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61300253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).