N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide

C11H15IN2O3S — CID 2986756

IUPACN-[(3-iodophenyl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1cccc(I)c1)N1CCOCC1
InChIInChI=1S/C11H15IN2O3S/c12-11-3-1-2-10(8-11)9-13-18(15,16)14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2
InChIKeyBSLZBNMLYJXBRA-UHFFFAOYSA-N
MW382.22 g/mol
LogP0.96
Rot. Bonds4

About N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide

N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide (PubChem CID 2986756) has the molecular formula C11H15IN2O3S and a molecular weight of 382.22 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]morpholine-4-sulfonamide
PubChem CID2986756
Molecular FormulaC11H15IN2O3S
Molecular Weight382.22 g/mol
Exact Mass381.98
IUPAC NameN-[(3-iodophenyl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1cccc(I)c1)N1CCOCC1
InChIInChI=1S/C11H15IN2O3S/c12-11-3-1-2-10(8-11)9-13-18(15,16)14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2
InChIKeyBSLZBNMLYJXBRA-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide (CID 2986756) is N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide is O=S(=O)(NCc1cccc(I)c1)N1CCOCC1.
What is the InChIKey of N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide?
The InChIKey is BSLZBNMLYJXBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3S/c12-11-3-1-2-10(8-11)9-13-18(15,16)14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2.
What are the key properties of N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide?
N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide has a molecular weight of 382.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 2986756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).