N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 119958872

IUPACN-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H19FN2O2S.ClH/c14-11-4-6-12(7-5-11)19(17,18)16-10-13(15)8-2-1-3-9-13;/h4-7,16H,1-3,8-10,15H2;1H
InChIKeyLPCNUBCXGPFLSQ-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.19
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119958872) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID119958872
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H19FN2O2S.ClH/c14-11-4-6-12(7-5-11)19(17,18)16-10-13(15)8-2-1-3-9-13;/h4-7,16H,1-3,8-10,15H2;1H
InChIKeyLPCNUBCXGPFLSQ-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride (CID 119958872) is N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is LPCNUBCXGPFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c14-11-4-6-12(7-5-11)19(17,18)16-10-13(15)8-2-1-3-9-13;/h4-7,16H,1-3,8-10,15H2;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119958872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).