4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C15H21ClF3N3O3S — CID 119980966

IUPAC4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F3N3O3S.ClH/c16-15(17,18)10-20-13(22)11-3-5-12(6-4-11)25(23,24)21-14(9-19)7-1-2-8-14;/h3-6,21H,1-2,7-10,19H2,(H,20,22);1H
InChIKeyHKJQETSPHOGRMW-UHFFFAOYSA-N
MW415.87 g/mol
LogP1.95
Rot. Bonds6

About 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119980966) has the molecular formula C15H21ClF3N3O3S and a molecular weight of 415.87 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119980966
Molecular FormulaC15H21ClF3N3O3S
Molecular Weight415.87 g/mol
Exact Mass415.09
IUPAC Name4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F3N3O3S.ClH/c16-15(17,18)10-20-13(22)11-3-5-12(6-4-11)25(23,24)21-14(9-19)7-1-2-8-14;/h3-6,21H,1-2,7-10,19H2,(H,20,22);1H
InChIKeyHKJQETSPHOGRMW-UHFFFAOYSA-N
XLogP1.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120710187
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 120777238
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119980966) is 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is Cl.NCC1(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is HKJQETSPHOGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S.ClH/c16-15(17,18)10-20-13(22)11-3-5-12(6-4-11)25(23,24)21-14(9-19)7-1-2-8-14;/h3-6,21H,1-2,7-10,19H2,(H,20,22);1H.
What are the key properties of 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119980966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).