4-carbamoylbenzenesulfonyl fluoride

C7H6FNO3S — CID 54079384

IUPAC4-carbamoylbenzenesulfonyl fluoride
SMILESNC(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H6FNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyAJKLLTHMUCSOQL-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.44
Rot. Bonds2

About 4-carbamoylbenzenesulfonyl fluoride

4-carbamoylbenzenesulfonyl fluoride (PubChem CID 54079384) has the molecular formula C7H6FNO3S and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-carbamoylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-carbamoylbenzenesulfonyl fluoride
PubChem CID54079384
Molecular FormulaC7H6FNO3S
Molecular Weight203.19 g/mol
Exact Mass203.01
IUPAC Name4-carbamoylbenzenesulfonyl fluoride
SMILESNC(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H6FNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyAJKLLTHMUCSOQL-UHFFFAOYSA-N
XLogP0.44
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonylbenzamide;hydrochloride
CID 71184405
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
4-(methylsulfamoyl)benzamide
CID 43241290
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
benzene-1,4-dicarboxamide;benzenesulfonyl chloride
CID 175228763
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
4-[ethyl(hydroxy)sulfamoyl]benzamide
CID 91012297
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084

Frequently Asked Questions

What is the IUPAC name of 4-carbamoylbenzenesulfonyl fluoride?
The IUPAC name of 4-carbamoylbenzenesulfonyl fluoride (CID 54079384) is 4-carbamoylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-carbamoylbenzenesulfonyl fluoride?
The canonical SMILES for 4-carbamoylbenzenesulfonyl fluoride is NC(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-carbamoylbenzenesulfonyl fluoride?
The InChIKey is AJKLLTHMUCSOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10).
What are the key properties of 4-carbamoylbenzenesulfonyl fluoride?
4-carbamoylbenzenesulfonyl fluoride has a molecular weight of 203.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylbenzenesulfonyl fluoride is sourced from PubChem (CID 54079384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).