N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide

C13H18FNO2S — CID 3722972

IUPACN-(cyclohexylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2
InChIKeyITSXUVGAWQYQNX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds4

About N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide

N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide (PubChem CID 3722972) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-fluorobenzenesulfonamide
PubChem CID3722972
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(cyclohexylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2
InChIKeyITSXUVGAWQYQNX-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide (CID 3722972) is N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide?
The InChIKey is ITSXUVGAWQYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-12-8-4-5-9-13(12)18(16,17)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2.
What are the key properties of N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide?
N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 3722972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).