N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide

C17H17IN2O4S — CID 39892592

IUPACN-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H17IN2O4S/c18-13-5-7-14(8-6-13)19-17(21)15-3-1-2-4-16(15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyASYIIZIKOBSTPI-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.56
Rot. Bonds4

About N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 39892592) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID39892592
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC NameN-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H17IN2O4S/c18-13-5-7-14(8-6-13)19-17(21)15-3-1-2-4-16(15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyASYIIZIKOBSTPI-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

N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 43072275
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
N-(5-fluoro-2-pyridinyl)-2-morpholin-4-ylsulfonylbenzamide
CID 52871230

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 39892592) is N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(I)cc1)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ASYIIZIKOBSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-13-5-7-14(8-6-13)19-17(21)15-3-1-2-4-16(15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide 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 N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 39892592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).