N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide

C12H11Br2N3O2S — CID 62159373

IUPACN-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H11Br2N3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16)
InChIKeyWLRCNUFQUPOMME-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.45
Rot. Bonds4

About N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62159373) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62159373
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC NameN-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H11Br2N3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16)
InChIKeyWLRCNUFQUPOMME-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
N-(4-bromo-2-chlorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 43347456
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 62159373) is N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1.
What is the InChIKey of N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is WLRCNUFQUPOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16).
What are the key properties of N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 421.11 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62159373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).