2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride

C9H11BrClNO5S — CID 65368922

IUPAC2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C9H11BrClNO5S/c1-5(4-16-2)12-9(13)6-3-7(8(10)17-6)18(11,14)15/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyOAYSDYHAAJHSLJ-UHFFFAOYSA-N
MW360.61 g/mol
LogP1.73
Rot. Bonds5

About 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride

2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 65368922) has the molecular formula C9H11BrClNO5S and a molecular weight of 360.61 g/mol. Its IUPAC name is 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID65368922
Molecular FormulaC9H11BrClNO5S
Molecular Weight360.61 g/mol
Exact Mass358.92
IUPAC Name2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C9H11BrClNO5S/c1-5(4-16-2)12-9(13)6-3-7(8(10)17-6)18(11,14)15/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyOAYSDYHAAJHSLJ-UHFFFAOYSA-N
XLogP1.73
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
CID 65396615
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65371395
2-bromo-5-[2-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
CID 113476424
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65373543
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride (CID 65368922) is 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride is COCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1.
What is the InChIKey of 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is OAYSDYHAAJHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO5S/c1-5(4-16-2)12-9(13)6-3-7(8(10)17-6)18(11,14)15/h3,5H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride?
2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 360.61 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 65368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).