N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 66184263

IUPACN-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O2S/c1-2-18(9-6-17-7-9)21(19,20)11-5-8(12(14,15)16)3-4-10(11)13/h3-5,9,17H,2,6-7H2,1H3
InChIKeyKGOIAPKOQSBMJF-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.34
Rot. Bonds4

About N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide

N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 66184263) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID66184263
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC NameN-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O2S/c1-2-18(9-6-17-7-9)21(19,20)11-5-8(12(14,15)16)3-4-10(11)13/h3-5,9,17H,2,6-7H2,1H3
InChIKeyKGOIAPKOQSBMJF-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (CID 66184263) is N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KGOIAPKOQSBMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c1-2-18(9-6-17-7-9)21(19,20)11-5-8(12(14,15)16)3-4-10(11)13/h3-5,9,17H,2,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 66184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).