2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride

C12H13ClFNO4S — CID 62906523

IUPAC2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H13ClFNO4S/c13-20(17,18)11-2-1-9(7-10(11)14)15-12(16)8-3-5-19-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyLUHONAGPFZKIQQ-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride

2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride (PubChem CID 62906523) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
PubChem CID62906523
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H13ClFNO4S/c13-20(17,18)11-2-1-9(7-10(11)14)15-12(16)8-3-5-19-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyLUHONAGPFZKIQQ-UHFFFAOYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906863
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride (CID 62906523) is 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)C1CCOCC1.
What is the InChIKey of 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride?
The InChIKey is LUHONAGPFZKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c13-20(17,18)11-2-1-9(7-10(11)14)15-12(16)8-3-5-19-6-4-8/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride?
2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride has a molecular weight of 321.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 62906523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).