[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium

C16H17Cl3NO2S+ — CID 9335013

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
SMILESC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3NO2S/c1-11(12-2-4-13(17)5-3-12)20-8-9-23(21,22)16-10-14(18)6-7-15(16)19/h2-7,10-11,20H,8-9H2,1H3/p+1/t11-/m1/s1
InChIKeyMMAKWQBIOJXUAT-LLVKDONJSA-O
MW393.74 g/mol
LogP3.75
Rot. Bonds6

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium (PubChem CID 9335013) has the molecular formula C16H17Cl3NO2S+ and a molecular weight of 393.74 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
PubChem CID9335013
Molecular FormulaC16H17Cl3NO2S+
Molecular Weight393.74 g/mol
Exact Mass392.00
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
SMILESC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3NO2S/c1-11(12-2-4-13(17)5-3-12)20-8-9-23(21,22)16-10-14(18)6-7-15(16)19/h2-7,10-11,20H,8-9H2,1H3/p+1/t11-/m1/s1
InChIKeyMMAKWQBIOJXUAT-LLVKDONJSA-O
XLogP3.75
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
CID 8772315
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
bis(4-propan-2-ylphenyl)iodanium;2,5-dichlorobenzenesulfonate
CID 22935143
(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
CID 8920650
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050004
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
CID 64696960
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylpentanenitrile
CID 65263232
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
CID 9335625
propan-2-yl 2,5-dichlorobenzenesulfonate
CID 87077321
2-[2-(bromomethyl)butylsulfonyl]-1,4-dichlorobenzene
CID 65000665
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium (CID 9335013) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium is C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium?
The InChIKey is MMAKWQBIOJXUAT-LLVKDONJSA-O. The full InChI is InChI=1S/C16H16Cl3NO2S/c1-11(12-2-4-13(17)5-3-12)20-8-9-23(21,22)16-10-14(18)6-7-15(16)19/h2-7,10-11,20H,8-9H2,1H3/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium has a molecular weight of 393.74 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium is sourced from PubChem (CID 9335013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).