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

C12H16Cl3FN2O2S — CID 120711122

IUPACN-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H15Cl2FN2O2S.ClH/c13-8-4-5-10(11(14)12(8)15)20(18,19)17-9-3-1-2-7(9)6-16;/h4-5,7,9,17H,1-3,6,16H2;1H
InChIKeyPPQNSPPVAUYRBZ-UHFFFAOYSA-N
MW377.70 g/mol
LogP2.96
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120711122) has the molecular formula C12H16Cl3FN2O2S and a molecular weight of 377.70 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120711122
Molecular FormulaC12H16Cl3FN2O2S
Molecular Weight377.70 g/mol
Exact Mass376.00
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H15Cl2FN2O2S.ClH/c13-8-4-5-10(11(14)12(8)15)20(18,19)17-9-3-1-2-7(9)6-16;/h4-5,7,9,17H,1-3,6,16H2;1H
InChIKeyPPQNSPPVAUYRBZ-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 103088583
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride (CID 120711122) is N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is PPQNSPPVAUYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O2S.ClH/c13-8-4-5-10(11(14)12(8)15)20(18,19)17-9-3-1-2-7(9)6-16;/h4-5,7,9,17H,1-3,6,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 377.70 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).