4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride

C11H12BrClFNO4S — CID 102701096

IUPAC4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
SMILESCOC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br
InChIInChI=1S/C11H12BrClFNO4S/c1-6(19-2)5-15-11(16)7-3-10(20(13,17)18)9(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyXPSZRSFTKGFRDL-UHFFFAOYSA-N
MW388.64 g/mol
LogP2.28
Rot. Bonds5

About 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride

4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 102701096) has the molecular formula C11H12BrClFNO4S and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
PubChem CID102701096
Molecular FormulaC11H12BrClFNO4S
Molecular Weight388.64 g/mol
Exact Mass386.93
IUPAC Name4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
SMILESCOC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br
InChIInChI=1S/C11H12BrClFNO4S/c1-6(19-2)5-15-11(16)7-3-10(20(13,17)18)9(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyXPSZRSFTKGFRDL-UHFFFAOYSA-N
XLogP2.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701174
4-bromo-2-fluoro-5-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371585
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2,4,5-trichloro-3-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701105
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368132
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride (CID 102701096) is 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride is COC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br.
What is the InChIKey of 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is XPSZRSFTKGFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO4S/c1-6(19-2)5-15-11(16)7-3-10(20(13,17)18)9(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride?
4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 388.64 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 102701096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).