N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide

C12H17ClFNO2S — CID 175233187

IUPACN-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO2S/c1-8(15-18(16,17)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-8,15H,1-4H3/t8-/m0/s1
InChIKeyUHFRESHJPNDBGU-QMMMGPOBSA-N
MW293.79 g/mol
LogP3.26
Rot. Bonds3

About N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide

N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide (PubChem CID 175233187) has the molecular formula C12H17ClFNO2S and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide
PubChem CID175233187
Molecular FormulaC12H17ClFNO2S
Molecular Weight293.79 g/mol
Exact Mass293.07
IUPAC NameN-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO2S/c1-8(15-18(16,17)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-8,15H,1-4H3/t8-/m0/s1
InChIKeyUHFRESHJPNDBGU-QMMMGPOBSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide (CID 175233187) is N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide is C[C@H](NS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide?
The InChIKey is UHFRESHJPNDBGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17ClFNO2S/c1-8(15-18(16,17)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-8,15H,1-4H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide?
N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 293.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 175233187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).