4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C13H16ClF3N2O3S — CID 2453547

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2
InChIKeyMGMVJPOPRLXIHW-UHFFFAOYSA-N
MW372.80 g/mol
LogP1.97
Rot. Bonds5

About 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2453547) has the molecular formula C13H16ClF3N2O3S and a molecular weight of 372.80 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2453547
Molecular FormulaC13H16ClF3N2O3S
Molecular Weight372.80 g/mol
Exact Mass372.05
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2
InChIKeyMGMVJPOPRLXIHW-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 2453547) is 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MGMVJPOPRLXIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 372.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2453547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).