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

C12H17Cl2FN2O2S — CID 103089008

IUPACN-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H17Cl2FN2O2S/c1-7(2)5-8(6-16)17-20(18,19)10-4-3-9(13)12(15)11(10)14/h3-4,7-8,17H,5-6,16H2,1-2H3
InChIKeyIUIOEPXGMWBBBL-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.78
Rot. Bonds6

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

N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103089008) has the molecular formula C12H17Cl2FN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103089008
Molecular FormulaC12H17Cl2FN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.04
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H17Cl2FN2O2S/c1-7(2)5-8(6-16)17-20(18,19)10-4-3-9(13)12(15)11(10)14/h3-4,7-8,17H,5-6,16H2,1-2H3
InChIKeyIUIOEPXGMWBBBL-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.78
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-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089775
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
CID 119983105

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103089008) is N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is CC(C)CC(CN)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is IUIOEPXGMWBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2FN2O2S/c1-7(2)5-8(6-16)17-20(18,19)10-4-3-9(13)12(15)11(10)14/h3-4,7-8,17H,5-6,16H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 343.25 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).