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

C17H17IN2O4S — CID 3955565

IUPAC4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1
InChIInChI=1S/C17H17IN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyQCWAATYZLIFZAB-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.56
Rot. Bonds4

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

4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3955565) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3955565
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC Name4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1
InChIInChI=1S/C17H17IN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyQCWAATYZLIFZAB-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-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 3955565) is 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is QCWAATYZLIFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
4-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 4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3955565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).