N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride

C12H18BrClN2O2S — CID 119980920

IUPACN-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-10-4-3-5-11(8-10)18(16,17)15-12(9-14)6-1-2-7-12;/h3-5,8,15H,1-2,6-7,9,14H2;1H
InChIKeyVVXYSLNQPABTJP-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride (PubChem CID 119980920) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
PubChem CID119980920
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-10-4-3-5-11(8-10)18(16,17)15-12(9-14)6-1-2-7-12;/h3-5,8,15H,1-2,6-7,9,14H2;1H
InChIKeyVVXYSLNQPABTJP-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
CID 63889394
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120710187
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride (CID 119980920) is N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)c2cccc(Br)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride?
The InChIKey is VVXYSLNQPABTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c13-10-4-3-5-11(8-10)18(16,17)15-12(9-14)6-1-2-7-12;/h3-5,8,15H,1-2,6-7,9,14H2;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119980920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).