2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide

C19H18F4N2O4S — CID 55480057

IUPAC2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O4S/c1-12-2-3-13(10-16(12)19(21,22)23)24-18(26)15-11-14(4-5-17(15)20)30(27,28)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,24,26)
InChIKeyGGKHGXDCVVOVES-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.43
Rot. Bonds4

About 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55480057) has the molecular formula C19H18F4N2O4S and a molecular weight of 446.42 g/mol. Its IUPAC name is 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55480057
Molecular FormulaC19H18F4N2O4S
Molecular Weight446.42 g/mol
Exact Mass446.09
IUPAC Name2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O4S/c1-12-2-3-13(10-16(12)19(21,22)23)24-18(26)15-11-14(4-5-17(15)20)30(27,28)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,24,26)
InChIKeyGGKHGXDCVVOVES-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 24636464
2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489616
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55480057) is 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GGKHGXDCVVOVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O4S/c1-12-2-3-13(10-16(12)19(21,22)23)24-18(26)15-11-14(4-5-17(15)20)30(27,28)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,24,26).
What are the key properties of 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 446.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55480057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).