N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C19H22FN3O4S — CID 39130389

IUPACN-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H22FN3O4S/c1-22(2)18-6-4-3-5-17(18)21-19(24)15-13-14(7-8-16(15)20)28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyGAMVSHHKTKQNFQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 39130389) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID39130389
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H22FN3O4S/c1-22(2)18-6-4-3-5-17(18)21-19(24)15-13-14(7-8-16(15)20)28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyGAMVSHHKTKQNFQ-UHFFFAOYSA-N
XLogP2.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
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-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2385539
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
CID 31030862
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 39130389) is N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CN(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GAMVSHHKTKQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-22(2)18-6-4-3-5-17(18)21-19(24)15-13-14(7-8-16(15)20)28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 39130389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).