N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide

C13H18ClF3N2O2S — CID 124682011

IUPACN-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C[C@@H](CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H18ClF3N2O2S/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(6-11(12)14)13(15,16)17/h3-4,6,8,10,19H,5,7,18H2,1-2H3/t10-/m0/s1
InChIKeyQZLIGZGARIDPJK-JTQLQIEISA-N
MW358.81 g/mol
LogP3.01
Rot. Bonds6

About N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide

N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 124682011) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
PubChem CID124682011
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C[C@@H](CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H18ClF3N2O2S/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(6-11(12)14)13(15,16)17/h3-4,6,8,10,19H,5,7,18H2,1-2H3/t10-/m0/s1
InChIKeyQZLIGZGARIDPJK-JTQLQIEISA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
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-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide (CID 124682011) is N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide is CC(C)C[C@@H](CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QZLIGZGARIDPJK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClF3N2O2S/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(6-11(12)14)13(15,16)17/h3-4,6,8,10,19H,5,7,18H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.81 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 124682011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).