3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride

C11H16FNO4S2 — CID 114791217

IUPAC3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H16FNO4S2/c1-3-4-8-13(2)19(16,17)11-7-5-6-10(9-11)18(12,14)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyWDOAANZVZDDURN-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.77
Rot. Bonds6

About 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride

3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791217) has the molecular formula C11H16FNO4S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791217
Molecular FormulaC11H16FNO4S2
Molecular Weight309.38 g/mol
Exact Mass309.05
IUPAC Name3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H16FNO4S2/c1-3-4-8-13(2)19(16,17)11-7-5-6-10(9-11)18(12,14)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyWDOAANZVZDDURN-UHFFFAOYSA-N
XLogP1.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791217) is 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride is CCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is WDOAANZVZDDURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S2/c1-3-4-8-13(2)19(16,17)11-7-5-6-10(9-11)18(12,14)15/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 309.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).