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

C18H18F2N2O6S — CID 35979257

IUPAC3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H18F2N2O6S/c19-18(20)28-13-3-1-2-12(10-13)17(24)21-15-11-14(4-5-16(15)23)29(25,26)22-6-8-27-9-7-22/h1-5,10-11,18,23H,6-9H2,(H,21,24)
InChIKeyXKXGZZSTNWRLAF-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.27
Rot. Bonds6

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

3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 35979257) has the molecular formula C18H18F2N2O6S and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID35979257
Molecular FormulaC18H18F2N2O6S
Molecular Weight428.41 g/mol
Exact Mass428.09
IUPAC Name3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H18F2N2O6S/c19-18(20)28-13-3-1-2-12(10-13)17(24)21-15-11-14(4-5-16(15)23)29(25,26)22-6-8-27-9-7-22/h1-5,10-11,18,23H,6-9H2,(H,21,24)
InChIKeyXKXGZZSTNWRLAF-UHFFFAOYSA-N
XLogP2.27
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 35979257) is 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is XKXGZZSTNWRLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O6S/c19-18(20)28-13-3-1-2-12(10-13)17(24)21-15-11-14(4-5-16(15)23)29(25,26)22-6-8-27-9-7-22/h1-5,10-11,18,23H,6-9H2,(H,21,24).
What are the key properties of 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 428.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 35979257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).