N-iodo-1-phenylmethanesulfonamide

C7H8INO2S — CID 88874569

IUPACN-iodo-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NI
InChIInChI=1S/C7H8INO2S/c8-9-12(10,11)6-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyXKPOUSOWAMXOOT-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.46
Rot. Bonds3

About N-iodo-1-phenylmethanesulfonamide

N-iodo-1-phenylmethanesulfonamide (PubChem CID 88874569) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is N-iodo-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-iodo-1-phenylmethanesulfonamide
PubChem CID88874569
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC NameN-iodo-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NI
InChIInChI=1S/C7H8INO2S/c8-9-12(10,11)6-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyXKPOUSOWAMXOOT-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-benzylsulfonylbenzenesulfonamide
CID 102116917
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
1-phenyl-N-phenylsulfanylmethanesulfonamide
CID 146422140
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
benzyl-imino-iodo-oxo-λ6-sulfane
CID 174301581
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175

Frequently Asked Questions

What is the IUPAC name of N-iodo-1-phenylmethanesulfonamide?
The IUPAC name of N-iodo-1-phenylmethanesulfonamide (CID 88874569) is N-iodo-1-phenylmethanesulfonamide.
What is the SMILES notation for N-iodo-1-phenylmethanesulfonamide?
The canonical SMILES for N-iodo-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NI.
What is the InChIKey of N-iodo-1-phenylmethanesulfonamide?
The InChIKey is XKPOUSOWAMXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S/c8-9-12(10,11)6-7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of N-iodo-1-phenylmethanesulfonamide?
N-iodo-1-phenylmethanesulfonamide has a molecular weight of 297.12 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-phenylmethanesulfonamide is sourced from PubChem (CID 88874569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).