N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride

C16H23ClF3N3O3S — CID 119612221

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-5-3-6-13(8-12)26(24,25)21-10-15(23)22-14-7-2-1-4-11(14)9-20;/h3,5-6,8,11,14,21H,1-2,4,7,9-10,20H2,(H,22,23);1H
InChIKeyUMNRXZMABXHZAW-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride (PubChem CID 119612221) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
PubChem CID119612221
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-5-3-6-13(8-12)26(24,25)21-10-15(23)22-14-7-2-1-4-11(14)9-20;/h3,5-6,8,11,14,21H,1-2,4,7,9-10,20H2,(H,22,23);1H
InChIKeyUMNRXZMABXHZAW-UHFFFAOYSA-N
XLogP2.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 56545994
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119602098
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride (CID 119612221) is N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The InChIKey is UMNRXZMABXHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-5-3-6-13(8-12)26(24,25)21-10-15(23)22-14-7-2-1-4-11(14)9-20;/h3,5-6,8,11,14,21H,1-2,4,7,9-10,20H2,(H,22,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride has a molecular weight of 429.89 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119612221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).