N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide

C15H23FN2O2S — CID 102920439

IUPACN-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-2-17-11-12-8-9-13(16)10-15(12)21(19,20)18-14-6-4-3-5-7-14/h8-10,14,17-18H,2-7,11H2,1H3
InChIKeyMDUYRQDGZZGXDX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.55
Rot. Bonds6

About N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide

N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide (PubChem CID 102920439) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
PubChem CID102920439
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-2-17-11-12-8-9-13(16)10-15(12)21(19,20)18-14-6-4-3-5-7-14/h8-10,14,17-18H,2-7,11H2,1H3
InChIKeyMDUYRQDGZZGXDX-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921001
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
N-cyclooctyl-2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzenesulfonamide
CID 20917795
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide (CID 102920439) is N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide is CCNCc1ccc(F)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide?
The InChIKey is MDUYRQDGZZGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-17-11-12-8-9-13(16)10-15(12)21(19,20)18-14-6-4-3-5-7-14/h8-10,14,17-18H,2-7,11H2,1H3.
What are the key properties of N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide?
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 102920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).