4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride

C9H12FNO4S2 — CID 114958107

IUPAC4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
SMILESCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H12FNO4S2/c1-7(2)11-17(14,15)9-5-3-8(4-6-9)16(10,12)13/h3-7,11H,1-2H3
InChIKeyLACIKBHIEJSPRJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.03
Rot. Bonds4

About 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride

4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958107) has the molecular formula C9H12FNO4S2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958107
Molecular FormulaC9H12FNO4S2
Molecular Weight281.33 g/mol
Exact Mass281.02
IUPAC Name4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
SMILESCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H12FNO4S2/c1-7(2)11-17(14,15)9-5-3-8(4-6-9)16(10,12)13/h3-7,11H,1-2H3
InChIKeyLACIKBHIEJSPRJ-UHFFFAOYSA-N
XLogP1.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
4-(1-cyanopropylsulfamoyl)benzenesulfonyl fluoride
CID 126819584
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
CID 138059785
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
4-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylbenzenesulfonamide
CID 61032104
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride (CID 114958107) is 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride is CC(C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is LACIKBHIEJSPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO4S2/c1-7(2)11-17(14,15)9-5-3-8(4-6-9)16(10,12)13/h3-7,11H,1-2H3.
What are the key properties of 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride?
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 281.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).