4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C15H16F3N5O4S — CID 2445635

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H16F3N5O4S/c1-9-2-3-10(8-11(9)28(25,26)23-4-6-27-7-5-23)12(24)19-14-20-13(21-22-14)15(16,17)18/h2-3,8H,4-7H2,1H3,(H2,19,20,21,22,24)
InChIKeyPUTCXABPRQOYQJ-UHFFFAOYSA-N
MW419.39 g/mol
LogP1.41
Rot. Bonds4

About 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 2445635) has the molecular formula C15H16F3N5O4S and a molecular weight of 419.39 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID2445635
Molecular FormulaC15H16F3N5O4S
Molecular Weight419.39 g/mol
Exact Mass419.09
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H16F3N5O4S/c1-9-2-3-10(8-11(9)28(25,26)23-4-6-27-7-5-23)12(24)19-14-20-13(21-22-14)15(16,17)18/h2-3,8H,4-7H2,1H3,(H2,19,20,21,22,24)
InChIKeyPUTCXABPRQOYQJ-UHFFFAOYSA-N
XLogP1.41
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43021038
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
1-methylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 36580021
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55497201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 2445635) is 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is PUTCXABPRQOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O4S/c1-9-2-3-10(8-11(9)28(25,26)23-4-6-27-7-5-23)12(24)19-14-20-13(21-22-14)15(16,17)18/h2-3,8H,4-7H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 419.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 2445635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).