N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C18H17F3N2O4S — CID 31813108

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C18H17F3N2O4S/c19-18(20,21)13-4-3-5-14(12-13)28(25,26)22-16-7-2-1-6-15(16)17(24)23-8-10-27-11-9-23/h1-7,12,22H,8-11H2
InChIKeyXHEFHZGJWCAHGY-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 31813108) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID31813108
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C18H17F3N2O4S/c19-18(20,21)13-4-3-5-14(12-13)28(25,26)22-16-7-2-1-6-15(16)17(24)23-8-10-27-11-9-23/h1-7,12,22H,8-11H2
InChIKeyXHEFHZGJWCAHGY-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 32651205
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663261
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 31813108) is N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XHEFHZGJWCAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c19-18(20,21)13-4-3-5-14(12-13)28(25,26)22-16-7-2-1-6-15(16)17(24)23-8-10-27-11-9-23/h1-7,12,22H,8-11H2.
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31813108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).