2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride

C11H15BrClNO4S — CID 65371395

IUPAC2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCCC(NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C(C)C
InChIInChI=1S/C11H15BrClNO4S/c1-4-7(6(2)3)14-11(15)8-5-9(10(12)18-8)19(13,16)17/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyZZLUGRBPPCAHOL-UHFFFAOYSA-N
MW372.67 g/mol
LogP3.13
Rot. Bonds5

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

2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 65371395) has the molecular formula C11H15BrClNO4S and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID65371395
Molecular FormulaC11H15BrClNO4S
Molecular Weight372.67 g/mol
Exact Mass370.96
IUPAC Name2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCCC(NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C(C)C
InChIInChI=1S/C11H15BrClNO4S/c1-4-7(6(2)3)14-11(15)8-5-9(10(12)18-8)19(13,16)17/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyZZLUGRBPPCAHOL-UHFFFAOYSA-N
XLogP3.13
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65368922
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
CID 65396615
4-bromo-2-fluoro-5-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371585
2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
CID 113476424
4-methyl-2-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65453932
2-bromo-5-[2-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
2,5-difluoro-3-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371574
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride (CID 65371395) is 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride is CCC(NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C(C)C.
What is the InChIKey of 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is ZZLUGRBPPCAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO4S/c1-4-7(6(2)3)14-11(15)8-5-9(10(12)18-8)19(13,16)17/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 372.67 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 65371395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).