2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium

C15H23ClF3N2O2S+ — CID 2557677

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H22ClF3N2O2S/c1-10(2)21(11(3)4)8-7-20-24(22,23)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3/p+1
InChIKeyMFTRZACYUFVHFB-UHFFFAOYSA-O
MW387.88 g/mol
LogP2.34
Rot. Bonds7

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium (PubChem CID 2557677) has the molecular formula C15H23ClF3N2O2S+ and a molecular weight of 387.88 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium
PubChem CID2557677
Molecular FormulaC15H23ClF3N2O2S+
Molecular Weight387.88 g/mol
Exact Mass387.11
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H22ClF3N2O2S/c1-10(2)21(11(3)4)8-7-20-24(22,23)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3/p+1
InChIKeyMFTRZACYUFVHFB-UHFFFAOYSA-O
XLogP2.34
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium (CID 2557677) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium?
The InChIKey is MFTRZACYUFVHFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22ClF3N2O2S/c1-10(2)21(11(3)4)8-7-20-24(22,23)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3/p+1.
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium has a molecular weight of 387.88 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 2557677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).