3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

C19H21FN2O6S — CID 25438460

IUPAC3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1F
InChIInChI=1S/C19H21FN2O6S/c1-26-16-5-3-13(11-15(16)20)19(23)21-14-4-6-17(27-2)18(12-14)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyHMEGHHPYRWZVAK-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.12
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 25438460) has the molecular formula C19H21FN2O6S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID25438460
Molecular FormulaC19H21FN2O6S
Molecular Weight424.45 g/mol
Exact Mass424.11
IUPAC Name3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1F
InChIInChI=1S/C19H21FN2O6S/c1-26-16-5-3-13(11-15(16)20)19(23)21-14-4-6-17(27-2)18(12-14)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyHMEGHHPYRWZVAK-UHFFFAOYSA-N
XLogP2.12
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
CID 26174414
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
CID 25438288
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 30747968

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 25438460) is 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is HMEGHHPYRWZVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S/c1-26-16-5-3-13(11-15(16)20)19(23)21-14-4-6-17(27-2)18(12-14)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 424.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25438460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).