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

C17H17FN2O5S — CID 3380469

IUPAC4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O5S/c18-13-3-1-12(2-4-13)17(22)19-15-11-14(5-6-16(15)21)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22)
InChIKeyFVSUIVHWPPJHMI-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.80
Rot. Bonds4

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

4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3380469) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3380469
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O5S/c18-13-3-1-12(2-4-13)17(22)19-15-11-14(5-6-16(15)21)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22)
InChIKeyFVSUIVHWPPJHMI-UHFFFAOYSA-N
XLogP1.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
CID 4585809
T5247935
CID 5216904
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 3380469) is 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is FVSUIVHWPPJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-13-3-1-12(2-4-13)17(22)19-15-11-14(5-6-16(15)21)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22).
What are the key properties of 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3380469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).