4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

C14H20FNO2S — CID 55136827

IUPAC4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S/c1-11-2-4-12(5-3-11)10-16-19(17,18)14-8-6-13(15)7-9-14/h6-9,11-12,16H,2-5,10H2,1H3
InChIKeyTWCSEHCPCKGJCO-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.93
Rot. Bonds4

About 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 55136827) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID55136827
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S/c1-11-2-4-12(5-3-11)10-16-19(17,18)14-8-6-13(15)7-9-14/h6-9,11-12,16H,2-5,10H2,1H3
InChIKeyTWCSEHCPCKGJCO-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63008897
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
6-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63244170
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (CID 55136827) is 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is TWCSEHCPCKGJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11-2-4-12(5-3-11)10-16-19(17,18)14-8-6-13(15)7-9-14/h6-9,11-12,16H,2-5,10H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55136827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).