N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide

C14H19F3N2O2S — CID 119986055

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-5-3-6-12(8-11)22(20,21)19-13-7-2-1-4-10(13)9-18/h3,5-6,8,10,13,19H,1-2,4,7,9,18H2
InChIKeyRODAAYRDWCTVBU-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119986055) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119986055
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-5-3-6-12(8-11)22(20,21)19-13-7-2-1-4-10(13)9-18/h3,5-6,8,10,13,19H,1-2,4,7,9,18H2
InChIKeyRODAAYRDWCTVBU-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11849343

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide (CID 119986055) is N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide is NCC1CCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RODAAYRDWCTVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)11-5-3-6-12(8-11)22(20,21)19-13-7-2-1-4-10(13)9-18/h3,5-6,8,10,13,19H,1-2,4,7,9,18H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119986055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).