N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride

C13H18ClF3N2O3S — CID 120875272

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C13H17F3N2O3S.ClH/c14-10-6-9(4-5-12(10)21-13(15)16)22(19,20)18-11-3-1-2-8(11)7-17;/h4-6,8,11,13,18H,1-3,7,17H2;1H
InChIKeyDJPXKPFFYILION-UHFFFAOYSA-N
MW374.81 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120875272) has the molecular formula C13H18ClF3N2O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120875272
Molecular FormulaC13H18ClF3N2O3S
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C13H17F3N2O3S.ClH/c14-10-6-9(4-5-12(10)21-13(15)16)22(19,20)18-11-3-1-2-8(11)7-17;/h4-6,8,11,13,18H,1-3,7,17H2;1H
InChIKeyDJPXKPFFYILION-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride (CID 120875272) is N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is DJPXKPFFYILION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S.ClH/c14-10-6-9(4-5-12(10)21-13(15)16)22(19,20)18-11-3-1-2-8(11)7-17;/h4-6,8,11,13,18H,1-3,7,17H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 374.81 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).