N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide

C20H23FN2O7S — CID 55341413

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C20H23FN2O7S/c1-27-16-12-18(29-3)17(28-2)11-14(16)20(24)22-13-4-5-15(21)19(10-13)31(25,26)23-6-8-30-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24)
InChIKeyLJVILMZVVZWQSG-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.12
Rot. Bonds7

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 55341413) has the molecular formula C20H23FN2O7S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID55341413
Molecular FormulaC20H23FN2O7S
Molecular Weight454.48 g/mol
Exact Mass454.12
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C20H23FN2O7S/c1-27-16-12-18(29-3)17(28-2)11-14(16)20(24)22-13-4-5-15(21)19(10-13)31(25,26)23-6-8-30-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24)
InChIKeyLJVILMZVVZWQSG-UHFFFAOYSA-N
XLogP2.12
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide (CID 55341413) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OC.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is LJVILMZVVZWQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O7S/c1-27-16-12-18(29-3)17(28-2)11-14(16)20(24)22-13-4-5-15(21)19(10-13)31(25,26)23-6-8-30-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 454.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 55341413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).