2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide

C9H10ClF3N2O2S — CID 43121876

IUPAC2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2S/c10-7-3-1-2-6(9(11,12)13)8(7)15-18(16,17)5-4-14/h1-3,15H,4-5,14H2
InChIKeyGVNZZKALALTKSE-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide

2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 43121876) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID43121876
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Name2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2S/c10-7-3-1-2-6(9(11,12)13)8(7)15-18(16,17)5-4-14/h1-3,15H,4-5,14H2
InChIKeyGVNZZKALALTKSE-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide (CID 43121876) is 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide is NCCS(=O)(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is GVNZZKALALTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c10-7-3-1-2-6(9(11,12)13)8(7)15-18(16,17)5-4-14/h1-3,15H,4-5,14H2.
What are the key properties of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide?
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 302.71 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 43121876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).