N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide

C13H16F3N3O4S — CID 119775820

IUPACN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C13H16F3N3O4S/c1-24(21,22)19-9-3-2-8(13(14,15)16)6-10(9)18-12(20)11-7-17-4-5-23-11/h2-3,6,11,17,19H,4-5,7H2,1H3,(H,18,20)
InChIKeyXVFNIFYLQNVTEF-UHFFFAOYSA-N
MW367.35 g/mol
LogP1.00
Rot. Bonds4

About N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide

N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide (PubChem CID 119775820) has the molecular formula C13H16F3N3O4S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
PubChem CID119775820
Molecular FormulaC13H16F3N3O4S
Molecular Weight367.35 g/mol
Exact Mass367.08
IUPAC NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C13H16F3N3O4S/c1-24(21,22)19-9-3-2-8(13(14,15)16)6-10(9)18-12(20)11-7-17-4-5-23-11/h2-3,6,11,17,19H,4-5,7H2,1H3,(H,18,20)
InChIKeyXVFNIFYLQNVTEF-UHFFFAOYSA-N
XLogP1.00
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide (CID 119775820) is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is XVFNIFYLQNVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4S/c1-24(21,22)19-9-3-2-8(13(14,15)16)6-10(9)18-12(20)11-7-17-4-5-23-11/h2-3,6,11,17,19H,4-5,7H2,1H3,(H,18,20).
What are the key properties of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119775820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).