N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide

C13H13BrClN3O2S — CID 61053133

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
SMILESCN(C)c1ccc(Br)cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H13BrClN3O2S/c1-18(2)12-4-3-9(14)7-11(12)17-21(19,20)10-5-6-16-13(15)8-10/h3-8,17H,1-2H3
InChIKeySYCRDQSXVOXPTF-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.36
Rot. Bonds4

About N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide (PubChem CID 61053133) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
PubChem CID61053133
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
SMILESCN(C)c1ccc(Br)cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H13BrClN3O2S/c1-18(2)12-4-3-9(14)7-11(12)17-21(19,20)10-5-6-16-13(15)8-10/h3-8,17H,1-2H3
InChIKeySYCRDQSXVOXPTF-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
N-(2-bromo-4-fluorophenyl)-2-chloropyridine-4-sulfonamide
CID 54895435
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62998550
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
CID 60651582
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62908445

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide (CID 61053133) is N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide is CN(C)c1ccc(Br)cc1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide?
The InChIKey is SYCRDQSXVOXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-18(2)12-4-3-9(14)7-11(12)17-21(19,20)10-5-6-16-13(15)8-10/h3-8,17H,1-2H3.
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide is sourced from PubChem (CID 61053133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).