4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride

C11H16FNO4S2 — CID 114958116

IUPAC4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
SMILESCCC(CC)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C11H16FNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3
InChIKeyRVMQMHNSFQMEKD-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.81
Rot. Bonds6

About 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride

4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958116) has the molecular formula C11H16FNO4S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958116
Molecular FormulaC11H16FNO4S2
Molecular Weight309.38 g/mol
Exact Mass309.05
IUPAC Name4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
SMILESCCC(CC)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C11H16FNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3
InChIKeyRVMQMHNSFQMEKD-UHFFFAOYSA-N
XLogP1.81
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyanopropylsulfamoyl)benzenesulfonyl fluoride
CID 126819584
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 885109
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 106032195
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride (CID 114958116) is 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride is CCC(CC)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is RVMQMHNSFQMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-10(6-8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3.
What are the key properties of 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride?
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 309.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).