N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride

C7H12BrClN2O3S — CID 120712867

IUPACN-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C7H11BrN2O3S.ClH/c1-5(4-9)10-14(11,12)7-3-2-6(8)13-7;/h2-3,5,10H,4,9H2,1H3;1H/t5-;/m1./s1
InChIKeyBYDYRQOJDOBEDW-NUBCRITNSA-N
MW319.61 g/mol
LogP1.09
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride

N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride (PubChem CID 120712867) has the molecular formula C7H12BrClN2O3S and a molecular weight of 319.61 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
PubChem CID120712867
Molecular FormulaC7H12BrClN2O3S
Molecular Weight319.61 g/mol
Exact Mass317.94
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C7H11BrN2O3S.ClH/c1-5(4-9)10-14(11,12)7-3-2-6(8)13-7;/h2-3,5,10H,4,9H2,1H3;1H/t5-;/m1./s1
InChIKeyBYDYRQOJDOBEDW-NUBCRITNSA-N
XLogP1.09
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
CID 120713155
5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
CID 83180119
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
N-(2-aminocyclopropyl)-5-bromofuran-2-sulfonamide;hydrochloride
CID 131002738
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride (CID 120712867) is N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride is C[C@H](CN)NS(=O)(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride?
The InChIKey is BYDYRQOJDOBEDW-NUBCRITNSA-N. The full InChI is InChI=1S/C7H11BrN2O3S.ClH/c1-5(4-9)10-14(11,12)7-3-2-6(8)13-7;/h2-3,5,10H,4,9H2,1H3;1H/t5-;/m1./s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride?
N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride has a molecular weight of 319.61 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120712867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).