2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride

C11H13BrClNO4S — CID 113476424

IUPAC2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCC(CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C1CC1
InChIInChI=1S/C11H13BrClNO4S/c1-6(7-2-3-7)5-14-11(15)8-4-9(10(12)18-8)19(13,16)17/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyZGFOHEFEDWBKHN-UHFFFAOYSA-N
MW370.65 g/mol
LogP2.75
Rot. Bonds5

About 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride

2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 113476424) has the molecular formula C11H13BrClNO4S and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID113476424
Molecular FormulaC11H13BrClNO4S
Molecular Weight370.65 g/mol
Exact Mass368.94
IUPAC Name2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCC(CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C1CC1
InChIInChI=1S/C11H13BrClNO4S/c1-6(7-2-3-7)5-14-11(15)8-4-9(10(12)18-8)19(13,16)17/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyZGFOHEFEDWBKHN-UHFFFAOYSA-N
XLogP2.75
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65371395
2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65368922
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
CID 65398182
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
2-bromo-5-[(2,2-dimethyloxan-4-yl)carbamoyl]furan-3-sulfonyl chloride
CID 83036283
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride (CID 113476424) is 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride is CC(CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C1CC1.
What is the InChIKey of 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is ZGFOHEFEDWBKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4S/c1-6(7-2-3-7)5-14-11(15)8-4-9(10(12)18-8)19(13,16)17/h4,6-7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride?
2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 370.65 g/mol, XLogP of 2.75, 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-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 113476424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).