3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride

C15H22FNO4S2 — CID 166407096

IUPAC3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride
SMILESCC1CCC(C)(CNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1
InChIInChI=1S/C15H22FNO4S2/c1-12-6-8-15(2,9-7-12)11-17-23(20,21)14-5-3-4-13(10-14)22(16,18)19/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyLXOMSHCJVJIZCP-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.84
Rot. Bonds5

About 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride

3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride (PubChem CID 166407096) has the molecular formula C15H22FNO4S2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride
PubChem CID166407096
Molecular FormulaC15H22FNO4S2
Molecular Weight363.48 g/mol
Exact Mass363.10
IUPAC Name3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride
SMILESCC1CCC(C)(CNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1
InChIInChI=1S/C15H22FNO4S2/c1-12-6-8-15(2,9-7-12)11-17-23(20,21)14-5-3-4-13(10-14)22(16,18)19/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyLXOMSHCJVJIZCP-UHFFFAOYSA-N
XLogP2.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
3-(2,3-dimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958375
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
3-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958447
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
CID 118472177
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 113498468
3-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958442

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride (CID 166407096) is 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride is CC1CCC(C)(CNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1.
What is the InChIKey of 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride?
The InChIKey is LXOMSHCJVJIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4S2/c1-12-6-8-15(2,9-7-12)11-17-23(20,21)14-5-3-4-13(10-14)22(16,18)19/h3-5,10,12,17H,6-9,11H2,1-2H3.
What are the key properties of 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride?
3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride has a molecular weight of 363.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 166407096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).