N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H17IN2O4S — CID 5217633

IUPACN-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1I)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17IN2O4S/c18-15-6-1-2-7-16(15)19-17(21)13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyYDYLKDOPVZWYFK-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.56
Rot. Bonds4

About N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 5217633) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID5217633
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC NameN-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1I)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17IN2O4S/c18-15-6-1-2-7-16(15)19-17(21)13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyYDYLKDOPVZWYFK-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-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 5217633) is N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1I)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YDYLKDOPVZWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-15-6-1-2-7-16(15)19-17(21)13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21).
What are the key properties of N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-iodophenyl)-3-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-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5217633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).