N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

C13H20ClFN2O4S2 — CID 119970503

IUPACN-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1F.Cl
InChIInChI=1S/C13H19FN2O4S2.ClH/c1-21(17,18)13-7-6-11(8-12(13)14)22(19,20)16-10-4-2-9(15)3-5-10;/h6-10,16H,2-5,15H2,1H3;1H
InChIKeyXCNPZIXAYZEKIY-UHFFFAOYSA-N
MW386.90 g/mol
LogP1.20
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 119970503) has the molecular formula C13H20ClFN2O4S2 and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID119970503
Molecular FormulaC13H20ClFN2O4S2
Molecular Weight386.90 g/mol
Exact Mass386.05
IUPAC NameN-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1F.Cl
InChIInChI=1S/C13H19FN2O4S2.ClH/c1-21(17,18)13-7-6-11(8-12(13)14)22(19,20)16-10-4-2-9(15)3-5-10;/h6-10,16H,2-5,15H2,1H3;1H
InChIKeyXCNPZIXAYZEKIY-UHFFFAOYSA-N
XLogP1.20
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119050680
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (CID 119970503) is N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1F.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is XCNPZIXAYZEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S2.ClH/c1-21(17,18)13-7-6-11(8-12(13)14)22(19,20)16-10-4-2-9(15)3-5-10;/h6-10,16H,2-5,15H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).