N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide

C14H21FN2O2S — CID 62007612

IUPACN-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c1-17(14(11-16)9-3-2-4-10-14)20(18,19)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,16H2,1H3
InChIKeyPHGLRUUVIDHKCS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide

N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 62007612) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID62007612
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c1-17(14(11-16)9-3-2-4-10-14)20(18,19)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,16H2,1H3
InChIKeyPHGLRUUVIDHKCS-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 62010238
N-[1-(aminomethyl)cyclopentyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 62008228
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
CID 62008026
1-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclopentan-1-amine
CID 62009826
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
1-(aminomethyl)-1-[methyl(methylsulfamoyl)amino]cyclopentane
CID 114803856
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82838664
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide (CID 62007612) is N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide is CN(C1(CN)CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PHGLRUUVIDHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-17(14(11-16)9-3-2-4-10-14)20(18,19)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62007612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).