5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide

C9H14BrN3O4S2 — CID 118292937

IUPAC5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(Br)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14BrN3O4S2/c1-13(18(2,14)15)6-5-12-19(16,17)9-4-3-8(10)7-11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyGNHNGFWNMQXCHU-UHFFFAOYSA-N
MW372.27 g/mol
LogP0.01
Rot. Bonds6

About 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide

5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide (PubChem CID 118292937) has the molecular formula C9H14BrN3O4S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide
PubChem CID118292937
Molecular FormulaC9H14BrN3O4S2
Molecular Weight372.27 g/mol
Exact Mass370.96
IUPAC Name5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(Br)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14BrN3O4S2/c1-13(18(2,14)15)6-5-12-19(16,17)9-4-3-8(10)7-11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyGNHNGFWNMQXCHU-UHFFFAOYSA-N
XLogP0.01
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide (CID 118292937) is 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide is CN(CCNS(=O)(=O)c1ccc(Br)cn1)S(C)(=O)=O.
What is the InChIKey of 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide?
The InChIKey is GNHNGFWNMQXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O4S2/c1-13(18(2,14)15)6-5-12-19(16,17)9-4-3-8(10)7-11-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide?
5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide has a molecular weight of 372.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118292937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).