5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride

C11H10Cl2FNO4S — CID 80714550

IUPAC5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCOC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H10Cl2FNO4S/c12-6-3-8(10(14)9(4-6)20(13,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyYQJXPSMJFPDYPX-UHFFFAOYSA-N
MW342.18 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride

5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 80714550) has the molecular formula C11H10Cl2FNO4S and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID80714550
Molecular FormulaC11H10Cl2FNO4S
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC Name5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCOC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H10Cl2FNO4S/c12-6-3-8(10(14)9(4-6)20(13,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyYQJXPSMJFPDYPX-UHFFFAOYSA-N
XLogP1.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
2-chloro-4-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65372295
4-chloro-2-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65371146
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
3-fluoro-2-methoxy-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716247
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
3-[(5-bromo-2-hydroxyphenyl)sulfonylmethyl]-5-chloro-2-hydroxy-N-[(3S)-oxolan-3-yl]benzamide
CID 167601800
3-(cyclobutylcarbamoyl)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 65397013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride (CID 80714550) is 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CCOC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is YQJXPSMJFPDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO4S/c12-6-3-8(10(14)9(4-6)20(13,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16).
What are the key properties of 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride?
5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 342.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 80714550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).