N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride

C12H18ClFN2O2S — CID 119970669

IUPACN-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H17FN2O2S.ClH/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11;/h1-3,8,10-11,15H,4-7,14H2;1H
InChIKeyCRJHORDGIOZRMC-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.80
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119970669) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID119970669
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC NameN-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H17FN2O2S.ClH/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11;/h1-3,8,10-11,15H,4-7,14H2;1H
InChIKeyCRJHORDGIOZRMC-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride (CID 119970669) is N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride is Cl.NC1CCC(NS(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is CRJHORDGIOZRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11;/h1-3,8,10-11,15H,4-7,14H2;1H.
What are the key properties of N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).