1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

C15H17F3N4O3S — CID 2810760

IUPAC1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C15H17F3N4O3S/c1-21-9-14(19-10-21)26(23,24)20-12-8-11(15(16,17)18)2-3-13(12)22-4-6-25-7-5-22/h2-3,8-10,20H,4-7H2,1H3
InChIKeyOJZLEZYQOAQFIV-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.08
Rot. Bonds4

About 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 2810760) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
PubChem CID2810760
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C15H17F3N4O3S/c1-21-9-14(19-10-21)26(23,24)20-12-8-11(15(16,17)18)2-3-13(12)22-4-6-25-7-5-22/h2-3,8-10,20H,4-7H2,1H3
InChIKeyOJZLEZYQOAQFIV-UHFFFAOYSA-N
XLogP2.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (CID 2810760) is 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is OJZLEZYQOAQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-21-9-14(19-10-21)26(23,24)20-12-8-11(15(16,17)18)2-3-13(12)22-4-6-25-7-5-22/h2-3,8-10,20H,4-7H2,1H3.
What are the key properties of 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 2810760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).