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

C17H17IN2O4S — CID 2290469

IUPAC2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1I
InChIInChI=1S/C17H17IN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyBJOSAHGYPKGMAB-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.56
Rot. Bonds4

About 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 2290469) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID2290469
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC Name2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1I
InChIInChI=1S/C17H17IN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyBJOSAHGYPKGMAB-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

2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 2290469) is 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is BJOSAHGYPKGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2-iodo-N-(4-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 2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2290469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).