4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride

C13H18FNO4S2 — CID 114958260

IUPAC4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCCCC1
InChIInChI=1S/C13H18FNO4S2/c1-13(9-3-2-4-10-13)15-21(18,19)12-7-5-11(6-8-12)20(14,16)17/h5-8,15H,2-4,9-10H2,1H3
InChIKeyFLMDNKKZWIEXJD-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.35
Rot. Bonds4

About 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride

4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958260) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114958260
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC Name4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCCCC1
InChIInChI=1S/C13H18FNO4S2/c1-13(9-3-2-4-10-13)15-21(18,19)12-7-5-11(6-8-12)20(14,16)17/h5-8,15H,2-4,9-10H2,1H3
InChIKeyFLMDNKKZWIEXJD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
CID 90946350
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485629
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 63288656

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride (CID 114958260) is 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride is CC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCCCC1.
What is the InChIKey of 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is FLMDNKKZWIEXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c1-13(9-3-2-4-10-13)15-21(18,19)12-7-5-11(6-8-12)20(14,16)17/h5-8,15H,2-4,9-10H2,1H3.
What are the key properties of 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride?
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 335.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).