2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide

C11H15BrN2O5S — CID 102970878

IUPAC2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
SMILESCOC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1
InChIInChI=1S/C11H15BrN2O5S/c1-18-7-3-2-4-14(6-7)11(15)8-5-9(10(12)19-8)20(13,16)17/h5,7H,2-4,6H2,1H3,(H2,13,16,17)
InChIKeyOCWDBWLAEZLVSC-UHFFFAOYSA-N
MW367.22 g/mol
LogP0.94
Rot. Bonds3

About 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide

2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide (PubChem CID 102970878) has the molecular formula C11H15BrN2O5S and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
PubChem CID102970878
Molecular FormulaC11H15BrN2O5S
Molecular Weight367.22 g/mol
Exact Mass365.99
IUPAC Name2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
SMILESCOC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1
InChIInChI=1S/C11H15BrN2O5S/c1-18-7-3-2-4-14(6-7)11(15)8-5-9(10(12)19-8)20(13,16)17/h5,7H,2-4,6H2,1H3,(H2,13,16,17)
InChIKeyOCWDBWLAEZLVSC-UHFFFAOYSA-N
XLogP0.94
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
(4-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381254
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
4-chloro-2-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103541001
2,4-dichloro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540948
(2-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382680
(4-bromo-2-sulfanylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 107036874
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonamide
CID 103540992
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
CID 102970898

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide (CID 102970878) is 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide is COC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1.
What is the InChIKey of 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide?
The InChIKey is OCWDBWLAEZLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O5S/c1-18-7-3-2-4-14(6-7)11(15)8-5-9(10(12)19-8)20(13,16)17/h5,7H,2-4,6H2,1H3,(H2,13,16,17).
What are the key properties of 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide?
2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide has a molecular weight of 367.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide is sourced from PubChem (CID 102970878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).