3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride

C13H18FNO4S2 — CID 114958166

IUPAC3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1CCCC(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1
InChIInChI=1S/C13H18FNO4S2/c1-10-4-2-5-11(8-10)15-21(18,19)13-7-3-6-12(9-13)20(14,16)17/h3,6-7,9-11,15H,2,4-5,8H2,1H3
InChIKeyKNXCYZHSJNVTED-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.20
Rot. Bonds4

About 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride

3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958166) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114958166
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC Name3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1CCCC(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1
InChIInChI=1S/C13H18FNO4S2/c1-10-4-2-5-11(8-10)15-21(18,19)13-7-3-6-12(9-13)20(14,16)17/h3,6-7,9-11,15H,2,4-5,8H2,1H3
InChIKeyKNXCYZHSJNVTED-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
2-methyl-4-[(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 106920023
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027391

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride (CID 114958166) is 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride is CC1CCCC(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is KNXCYZHSJNVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c1-10-4-2-5-11(8-10)15-21(18,19)13-7-3-6-12(9-13)20(14,16)17/h3,6-7,9-11,15H,2,4-5,8H2,1H3.
What are the key properties of 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 335.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).