N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide

C17H17IN2O4S — CID 166365056

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(I)cc1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H17IN2O4S/c18-12-5-7-13(8-6-12)25(23,24)19-10-16(22)20-17-14-4-2-1-3-11(14)9-15(17)21/h1-8,15,17,19,21H,9-10H2,(H,20,22)/t15-,17+/m1/s1
InChIKeyVUDXAMROKYJIMC-WBVHZDCISA-N
MW472.30 g/mol
LogP1.34
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide (PubChem CID 166365056) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide
PubChem CID166365056
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(I)cc1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H17IN2O4S/c18-12-5-7-13(8-6-12)25(23,24)19-10-16(22)20-17-14-4-2-1-3-11(14)9-15(17)21/h1-8,15,17,19,21H,9-10H2,(H,20,22)/t15-,17+/m1/s1
InChIKeyVUDXAMROKYJIMC-WBVHZDCISA-N
XLogP1.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide (CID 166365056) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(I)cc1)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide?
The InChIKey is VUDXAMROKYJIMC-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17IN2O4S/c18-12-5-7-13(8-6-12)25(23,24)19-10-16(22)20-17-14-4-2-1-3-11(14)9-15(17)21/h1-8,15,17,19,21H,9-10H2,(H,20,22)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide has a molecular weight of 472.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 166365056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).