4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide

C9H12INO2S2 — CID 57133728

IUPAC4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](CS)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C9H12INO2S2/c1-7(6-14)11-15(12,13)9-4-2-8(10)3-5-9/h2-5,7,11,14H,6H2,1H3/t7-/m1/s1
InChIKeyVXMAPWCVNCCCSS-SSDOTTSWSA-N
MW357.24 g/mol
LogP1.89
Rot. Bonds4

About 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide

4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide (PubChem CID 57133728) has the molecular formula C9H12INO2S2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
PubChem CID57133728
Molecular FormulaC9H12INO2S2
Molecular Weight357.24 g/mol
Exact Mass356.94
IUPAC Name4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](CS)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C9H12INO2S2/c1-7(6-14)11-15(12,13)9-4-2-8(10)3-5-9/h2-5,7,11,14H,6H2,1H3/t7-/m1/s1
InChIKeyVXMAPWCVNCCCSS-SSDOTTSWSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711635
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
(2S)-3-(ethylamino)-2-[(4-iodophenyl)sulfonylamino]propanoic acid;hydrochloride
CID 86754155
2-[(4-iodophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468127
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide (CID 57133728) is 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide is C[C@H](CS)NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide?
The InChIKey is VXMAPWCVNCCCSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12INO2S2/c1-7(6-14)11-15(12,13)9-4-2-8(10)3-5-9/h2-5,7,11,14H,6H2,1H3/t7-/m1/s1.
What are the key properties of 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide?
4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide has a molecular weight of 357.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 57133728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).