N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide

C14H21FN2O2S — CID 43119831

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-6-8-14(10-16,9-7-11)17-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,16H2,1H3
InChIKeyRXHRGDSBXNTTEZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.01
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide (PubChem CID 43119831) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
PubChem CID43119831
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11-6-8-14(10-16,9-7-11)17-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,16H2,1H3
InChIKeyRXHRGDSBXNTTEZ-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929899
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 114293987
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
CID 63765090
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 63766993
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
CID 63765902
3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 65032421
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide (CID 43119831) is N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide is CC1CCC(CN)(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide?
The InChIKey is RXHRGDSBXNTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-6-8-14(10-16,9-7-11)17-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,17H,6-10,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43119831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).