3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C17H17IN2O4S — CID 42991896

IUPAC3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O4S/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyZIEXCWDYOWFOOV-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.56
Rot. Bonds4

About 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 42991896) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID42991896
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC Name3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O4S/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyZIEXCWDYOWFOOV-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 42991896) is 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is ZIEXCWDYOWFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 472.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 42991896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).