N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride

C9H12Cl3FN2O2S — CID 120712872

IUPACN-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.Cl
InChIInChI=1S/C9H11Cl2FN2O2S.ClH/c1-5(4-13)14-17(15,16)7-3-2-6(10)9(12)8(7)11;/h2-3,5,14H,4,13H2,1H3;1H/t5-;/m1./s1
InChIKeyHBTCIXOFAWHYOB-NUBCRITNSA-N
MW337.63 g/mol
LogP2.18
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride

N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120712872) has the molecular formula C9H12Cl3FN2O2S and a molecular weight of 337.63 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120712872
Molecular FormulaC9H12Cl3FN2O2S
Molecular Weight337.63 g/mol
Exact Mass335.97
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.Cl
InChIInChI=1S/C9H11Cl2FN2O2S.ClH/c1-5(4-13)14-17(15,16)7-3-2-6(10)9(12)8(7)11;/h2-3,5,14H,4,13H2,1H3;1H/t5-;/m1./s1
InChIKeyHBTCIXOFAWHYOB-NUBCRITNSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 52.18
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-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089775
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2,4-dichloro-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103270127
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride (CID 120712872) is N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride is C[C@H](CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.Cl.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is HBTCIXOFAWHYOB-NUBCRITNSA-N. The full InChI is InChI=1S/C9H11Cl2FN2O2S.ClH/c1-5(4-13)14-17(15,16)7-3-2-6(10)9(12)8(7)11;/h2-3,5,14H,4,13H2,1H3;1H/t5-;/m1./s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride?
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 337.63 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).