N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide

C11H15Cl2FN2O2S — CID 103089053

IUPACN-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H15Cl2FN2O2S/c1-6(2)8(5-15)16-19(17,18)9-4-3-7(12)11(14)10(9)13/h3-4,6,8,16H,5,15H2,1-2H3
InChIKeyYHQYINHWEPNZHJ-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.39
Rot. Bonds5

About N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide

N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103089053) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103089053
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H15Cl2FN2O2S/c1-6(2)8(5-15)16-19(17,18)9-4-3-7(12)11(14)10(9)13/h3-4,6,8,16H,5,15H2,1-2H3
InChIKeyYHQYINHWEPNZHJ-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.39
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-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
2,4-dichloro-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103270127
N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089775
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
N-(1-amino-3-methylbutan-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 65192675
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471
N-(1-amino-3-methylbutan-2-yl)-4-fluoro-2-nitrobenzenesulfonamide
CID 65192922
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103089053) is N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is CC(C)C(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is YHQYINHWEPNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2FN2O2S/c1-6(2)8(5-15)16-19(17,18)9-4-3-7(12)11(14)10(9)13/h3-4,6,8,16H,5,15H2,1-2H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103089053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).