N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

C13H19BrCl2N2O3S — CID 119980791

IUPACN-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H18BrClN2O3S.ClH/c1-20-12-10(14)6-9(15)7-11(12)21(18,19)17-13(8-16)4-2-3-5-13;/h6-7,17H,2-5,8,16H2,1H3;1H
InChIKeyKJRIAYUFCJOTRB-UHFFFAOYSA-N
MW434.18 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119980791) has the molecular formula C13H19BrCl2N2O3S and a molecular weight of 434.18 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID119980791
Molecular FormulaC13H19BrCl2N2O3S
Molecular Weight434.18 g/mol
Exact Mass431.97
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H18BrClN2O3S.ClH/c1-20-12-10(14)6-9(15)7-11(12)21(18,19)17-13(8-16)4-2-3-5-13;/h6-7,17H,2-5,8,16H2,1H3;1H
InChIKeyKJRIAYUFCJOTRB-UHFFFAOYSA-N
XLogP3.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.18
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(aminomethyl)cyclopentyl]-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120875141
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119980708
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (CID 119980791) is N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is KJRIAYUFCJOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S.ClH/c1-20-12-10(14)6-9(15)7-11(12)21(18,19)17-13(8-16)4-2-3-5-13;/h6-7,17H,2-5,8,16H2,1H3;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 434.18 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119980791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).