N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide

C12H12BrN3O2S — CID 62144171

IUPACN-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccn1
InChIInChI=1S/C12H12BrN3O2S/c1-14-12-8-11(5-6-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyFKHXPDWCDMTVFT-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.69
Rot. Bonds4

About N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide

N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62144171) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62144171
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC NameN-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccn1
InChIInChI=1S/C12H12BrN3O2S/c1-14-12-8-11(5-6-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyFKHXPDWCDMTVFT-UHFFFAOYSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
CID 62164043
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
CID 62143197
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107584202
2-(methylamino)-N-(2-propylphenyl)pyridine-4-sulfonamide
CID 62157255
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144375

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide (CID 62144171) is N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccn1.
What is the InChIKey of N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is FKHXPDWCDMTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-14-12-8-11(5-6-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide?
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62144171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).