2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide

C12H14BrN3O2S2 — CID 65245319

IUPAC2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Br)cnc2N)sc1C
InChIInChI=1S/C12H14BrN3O2S2/c1-7-3-10(19-8(7)2)6-16-20(17,18)11-4-9(13)5-15-12(11)14/h3-5,16H,6H2,1-2H3,(H2,14,15)
InChIKeyZSSMYHCSUZHTEI-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 65245319) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID65245319
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(Br)cnc2N)sc1C
InChIInChI=1S/C12H14BrN3O2S2/c1-7-3-10(19-8(7)2)6-16-20(17,18)11-4-9(13)5-15-12(11)14/h3-5,16H,6H2,1-2H3,(H2,14,15)
InChIKeyZSSMYHCSUZHTEI-UHFFFAOYSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62145809
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
CID 62157635
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 107343635

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide (CID 65245319) is 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide is Cc1cc(CNS(=O)(=O)c2cc(Br)cnc2N)sc1C.
What is the InChIKey of 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZSSMYHCSUZHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-7-3-10(19-8(7)2)6-16-20(17,18)11-4-9(13)5-15-12(11)14/h3-5,16H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 65245319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).