2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide

C13H18ClF3N2O2S — CID 3726842

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H18ClF3N2O2S/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyJQASRKJWGNWWKX-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.98
Rot. Bonds7

About 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 3726842) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID3726842
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H18ClF3N2O2S/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyJQASRKJWGNWWKX-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 3726842) is 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JQASRKJWGNWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O2S/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3726842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).