4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide

C16H18INO3S — CID 74229527

IUPAC4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCOC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H18INO3S/c1-21-12-15(11-13-5-3-2-4-6-13)18-22(19,20)16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3/t15-/m0/s1
InChIKeyQYVSTGOBUWUMTP-HNNXBMFYSA-N
MW431.30 g/mol
LogP2.83
Rot. Bonds7

About 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide

4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 74229527) has the molecular formula C16H18INO3S and a molecular weight of 431.30 g/mol. Its IUPAC name is 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID74229527
Molecular FormulaC16H18INO3S
Molecular Weight431.30 g/mol
Exact Mass431.01
IUPAC Name4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCOC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H18INO3S/c1-21-12-15(11-13-5-3-2-4-6-13)18-22(19,20)16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3/t15-/m0/s1
InChIKeyQYVSTGOBUWUMTP-HNNXBMFYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(1-methoxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 19107613
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
4-O-[2-(benzenesulfonamido)-3-phenylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 126491777
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide (CID 74229527) is 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide is COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is QYVSTGOBUWUMTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18INO3S/c1-21-12-15(11-13-5-3-2-4-6-13)18-22(19,20)16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide?
4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 431.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 74229527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).