N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide

C13H19Cl3N2O2S — CID 115310018

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-10(15)4-9(14)5-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3
InChIKeyTVLJMSLHHKWPGN-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.69
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide (PubChem CID 115310018) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
PubChem CID115310018
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-10(15)4-9(14)5-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3
InChIKeyTVLJMSLHHKWPGN-UHFFFAOYSA-N
XLogP3.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119985285
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
1-amino-2,4-dimethyl-2-(sulfamoylamino)pentane
CID 114959433
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 97237986
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119998499
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119985374

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide (CID 115310018) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The InChIKey is TVLJMSLHHKWPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl3N2O2S/c1-8(2)6-13(3,7-17)18-21(19,20)12-10(15)4-9(14)5-11(12)16/h4-5,8,18H,6-7,17H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide has a molecular weight of 373.73 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide is sourced from PubChem (CID 115310018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).