4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C19H22FN3O5S — CID 47076506

IUPAC4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1F
InChIInChI=1S/C19H22FN3O5S/c1-22(2)17-5-3-13(11-15(17)20)19(25)21-16-12-14(4-6-18(16)24)29(26,27)23-7-9-28-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3,(H,21,25)
InChIKeyIIPGCPRPTFGOFY-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.87
Rot. Bonds5

About 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 47076506) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID47076506
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Name4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1F
InChIInChI=1S/C19H22FN3O5S/c1-22(2)17-5-3-13(11-15(17)20)19(25)21-16-12-14(4-6-18(16)24)29(26,27)23-7-9-28-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3,(H,21,25)
InChIKeyIIPGCPRPTFGOFY-UHFFFAOYSA-N
XLogP1.87
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 47076506) is 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is CN(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1F.
What is the InChIKey of 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is IIPGCPRPTFGOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c1-22(2)17-5-3-13(11-15(17)20)19(25)21-16-12-14(4-6-18(16)24)29(26,27)23-7-9-28-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 423.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 47076506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).