N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C17H17F3N2O3S — CID 2810763

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-6-7-16(22-8-10-25-11-9-22)15(12-13)21-26(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyOXKSCGPZGBIDHD-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.34
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2810763) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2810763
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-6-7-16(22-8-10-25-11-9-22)15(12-13)21-26(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyOXKSCGPZGBIDHD-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2810763) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OXKSCGPZGBIDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-6-7-16(22-8-10-25-11-9-22)15(12-13)21-26(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2.
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 386.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2810763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).