N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide

C12H14ClF3N2O2S — CID 106059908

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-4-1-8(12(14,15)16)7-11(10)18-21(19,20)6-5-17-9-2-3-9/h1,4,7,9,17-18H,2-3,5-6H2
InChIKeyPRQNMNUMSLIRKB-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.85
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide (PubChem CID 106059908) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide
PubChem CID106059908
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-4-1-8(12(14,15)16)7-11(10)18-21(19,20)6-5-17-9-2-3-9/h1,4,7,9,17-18H,2-3,5-6H2
InChIKeyPRQNMNUMSLIRKB-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide (CID 106059908) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide is O=S(=O)(CCNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide?
The InChIKey is PRQNMNUMSLIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-10-4-1-8(12(14,15)16)7-11(10)18-21(19,20)6-5-17-9-2-3-9/h1,4,7,9,17-18H,2-3,5-6H2.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)ethanesulfonamide is sourced from PubChem (CID 106059908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).